(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide

C22H30N4O — CID 95551898

IUPAC(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
SMILESN#Cc1ccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1
InChIInChI=1S/C22H30N4O/c23-14-17-3-5-18(6-4-17)15-25-12-9-21(10-13-25)26-11-1-2-19(16-26)22(27)24-20-7-8-20/h3-6,19-21H,1-2,7-13,15-16H2,(H,24,27)/t19-/m0/s1
InChIKeyQHLZYFAKGPYYSO-IBGZPJMESA-N
MW366.51 g/mol
LogP2.51
Rot. Bonds5

About (3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide

(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 95551898) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID95551898
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
SMILESN#Cc1ccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1
InChIInChI=1S/C22H30N4O/c23-14-17-3-5-18(6-4-17)15-25-12-9-21(10-13-25)26-11-1-2-19(16-26)22(27)24-20-7-8-20/h3-6,19-21H,1-2,7-13,15-16H2,(H,24,27)/t19-/m0/s1
InChIKeyQHLZYFAKGPYYSO-IBGZPJMESA-N
XLogP2.51
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95402096
N-cyclopropyl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 45172510
(3R)-1-[1-(4-cyanobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide
CID 95545433
1-[(4-cyanophenyl)methyl]-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431625
4-[[4-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 95194116
(3R)-N-piperidin-4-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95525314
(3R)-N-cyclopropyl-1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95549285
(3R)-N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 29085751
N-cyclopent-3-en-1-yl-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873782
(3R)-N-(1-methylpiperidin-4-yl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557331
(3S)-N-cyclopropyl-1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 25295064
(3R)-N-cyclopropyl-1-[1-[(2,6-difluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95188167

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide (CID 95551898) is (3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide is N#Cc1ccc(CN2CCC(N3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1.
What is the InChIKey of (3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is QHLZYFAKGPYYSO-IBGZPJMESA-N. The full InChI is InChI=1S/C22H30N4O/c23-14-17-3-5-18(6-4-17)15-25-12-9-21(10-13-25)26-11-1-2-19(16-26)22(27)24-20-7-8-20/h3-6,19-21H,1-2,7-13,15-16H2,(H,24,27)/t19-/m0/s1.
What are the key properties of (3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide?
(3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 95551898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).