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R-IMPP

CAT: 0127-BUP05166-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP05166-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2133832-83-2
Purity
=98%
Smiles
COc1ccc(CCC(=O)N([C@@H]2CCCNC2)c2nccc3ccccc23)cc1

Chemical Information

R-Impp
CAS Number2133832-83-2
PubChem CID122198706
IUPAC NameN-isoquinolin-1-yl-3-(4-methoxyphenyl)-N-[(3R)-piperidin-3-yl]propanamide
Molecular FormulaC24H27N3O2
Molecular Weight389.5
XLogP3.8
Topological Polar Surface Area54.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity520
SMILES
COC1=CC=C(C=C1)CCC(=O)N([C@@H]2CCCNC2)C3=NC=CC4=CC=CC=C43
InChI
InChI=1S/C24H27N3O2/c1-29-21-11-8-18(9-12-21)10-13-23(28)27(20-6-4-15-25-17-20)24-22-7-3-2-5-19(22)14-16-26-24/h2-3,5,7-9,11-12,14,16,20,25H,4,6,10,13,15,17H2,1H3/t20-/m1/s1
InChIKey
OKTGXQMSOIQCTJ-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of R-Impp
CAS: 2133832-83-2
CID: 122198706
Formula: C24H27N3O2
MW: 389.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass389.21032711
Monoisotopic Mass389.21032711
Topological Polar Surface Area54.5 Ų
Heavy Atom Count29
Formal Charge0
Complexity520
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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