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Substituted piperidines-1 50mg

CAT: 0628-A12604-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A12604-50Size:50 mg
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CAS Number
170842-46-3

Chemical Information

Substituted piperidines-1
CAS Number170842-46-3
PubChem CID9914570
IUPAC Name2-amino-2-methyl-N-[(2R)-1-oxo-5-phenyl-1-[4-[2-[2-(2H-tetrazol-5-yl)ethyl]phenyl]piperidin-1-yl]pentan-2-yl]propanamide
Molecular FormulaC29H39N7O2
Molecular Weight517.7
XLogP3.5
Topological Polar Surface Area130
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity749
SMILES
CC(C)(C(=O)N[C@H](CCCC1=CC=CC=C1)C(=O)N2CCC(CC2)C3=CC=CC=C3CCC4=NNN=N4)N
InChI
InChI=1S/C29H39N7O2/c1-29(2,30)28(38)31-25(14-8-11-21-9-4-3-5-10-21)27(37)36-19-17-23(18-20-36)24-13-7-6-12-22(24)15-16-26-32-34-35-33-26/h3-7,9-10,12-13,23,25H,8,11,14-20,30H2,1-2H3,(H,31,38)(H,32,33,34,35)/t25-/m1/s1
InChIKey
NLJAGSJEAGPLOW-RUZDIDTESA-N
Chemical Structure
2D Structure
2D structure of Substituted piperidines-1
CAS: 170842-46-3
CID: 9914570
Formula: C29H39N7O2
MW: 517.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.7
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass517.31652351
Monoisotopic Mass517.31652351
Topological Polar Surface Area130 Ų
Heavy Atom Count38
Formal Charge0
Complexity749
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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