4-Propanoylpiperazin-2-one

CAT: 0926-QCA49355-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-QCA49355-01Size:50 mg

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CAS Number

65493-55-2

MDL Number

MFCD17237618

Smiles

CCC (=O) N1CCNC (=O) C1

Molecular Formula

C7H12N2O2

Molecular Weight

156.18 g/mol

Controlled

Chemical Information

4-Propanoylpiperazin-2-one

CAS Number	65493-55-2
PubChem CID	45099448
IUPAC Name	4-propanoylpiperazin-2-one
Molecular Formula	C7H12N2O2
Molecular Weight	156.18
XLogP	-0.7
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	179

SMILES

CCC(=O)N1CCNC(=O)C1

InChI

InChI=1S/C7H12N2O2/c1-2-7(11)9-4-3-8-6(10)5-9/h2-5H2,1H3,(H,8,10)

InChIKey

HQUGNUJTASFXAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65493-55-2

CID: 45099448

Formula: C7H12N2O2

MW: 156.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	156.18
XLogP3	-0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	156.089877630
Monoisotopic Mass	156.089877630
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RWC42397-01	1-Phenyl-3-propanoylpiperidin-2-one
FCA04781-01	4,4-Dimethylpiperidin-2-one
EAA87995-01	4,4-Dimethylazetidin-2-one
FAC66674-01	4,4-Difluoropiperidin-2-one
EAA29875-01	2,2,4,4-Tetramethylcyclobutan-1-one
XZB99059-01	4- (2,4-Difluorophenyl) butan-2-one
FH153648-01	4-hydroxybutan-2-one
GCA63450-01	4-Bromofuran-2-one
FP122795-01	4-Propylpyrrolidin-2-one
EAA86843-01	4-Isothiocyanatobutan-2-one