(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

C24H38N4O — CID 96572438

IUPAC(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCC1CCCCC1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C24H38N4O/c29-24(26-17-20-6-2-1-3-7-20)22-9-5-13-28(19-22)23-10-14-27(15-11-23)18-21-8-4-12-25-16-21/h4,8,12,16,20,22-23H,1-3,5-7,9-11,13-15,17-19H2,(H,26,29)/t22-/m0/s1
InChIKeyKHPGMHBVZFAQEU-QFIPXVFZSA-N
MW398.60 g/mol
LogP3.45
Rot. Bonds6

About (3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide

(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 96572438) has the molecular formula C24H38N4O and a molecular weight of 398.60 g/mol. Its IUPAC name is (3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID96572438
Molecular FormulaC24H38N4O
Molecular Weight398.60 g/mol
Exact Mass398.30
IUPAC Name(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NCC1CCCCC1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1
InChIInChI=1S/C24H38N4O/c29-24(26-17-20-6-2-1-3-7-20)22-9-5-13-28(19-22)23-10-14-27(15-11-23)18-21-8-4-12-25-16-21/h4,8,12,16,20,22-23H,1-3,5-7,9-11,13-15,17-19H2,(H,26,29)/t22-/m0/s1
InChIKeyKHPGMHBVZFAQEU-QFIPXVFZSA-N
XLogP3.45
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96573997
(3S)-N-(2-methoxyethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95218435
piperidin-1-yl-[1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 56870645
azocan-1-yl-[(3R)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 96573815
N-(3,3-dimethylbutyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56875611
(3R)-N-(2-methylsulfonylethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96573894
N-(pyridin-2-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873982
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554585
(3R)-N-[(1-methylimidazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96581071
N-(2-pyridin-3-ylethyl)-1-[1-(pyridin-4-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70731407
(3R)-N-[(3-methylphenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96576575
(3S)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 95559160

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide (CID 96572438) is (3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NCC1CCCCC1)[C@H]1CCCN(C2CCN(Cc3cccnc3)CC2)C1.
What is the InChIKey of (3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is KHPGMHBVZFAQEU-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H38N4O/c29-24(26-17-20-6-2-1-3-7-20)22-9-5-13-28(19-22)23-10-14-27(15-11-23)18-21-8-4-12-25-16-21/h4,8,12,16,20,22-23H,1-3,5-7,9-11,13-15,17-19H2,(H,26,29)/t22-/m0/s1.
What are the key properties of (3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide?
(3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 398.60 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(cyclohexylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 96572438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).