(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide

C19H30N4O — CID 92882153

IUPAC(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCCN1CCCCCC1)[C@H]1CCCN(c2ccncc2)C1
InChIInChI=1S/C19H30N4O/c24-19(21-11-15-22-12-3-1-2-4-13-22)17-6-5-14-23(16-17)18-7-9-20-10-8-18/h7-10,17H,1-6,11-16H2,(H,21,24)/t17-/m0/s1
InChIKeyPTUBRQULADFNSG-KRWDZBQOSA-N
MW330.48 g/mol
LogP2.29
Rot. Bonds5

About (3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide

(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 92882153) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID92882153
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCCN1CCCCCC1)[C@H]1CCCN(c2ccncc2)C1
InChIInChI=1S/C19H30N4O/c24-19(21-11-15-22-12-3-1-2-4-13-22)17-6-5-14-23(16-17)18-7-9-20-10-8-18/h7-10,17H,1-6,11-16H2,(H,21,24)/t17-/m0/s1
InChIKeyPTUBRQULADFNSG-KRWDZBQOSA-N
XLogP2.29
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384657
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 53004866
N-(furan-2-ylmethyl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 20973198
N-[2-(azepan-1-yl)ethyl]-1-[5-(4-methylphenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 53107069
(3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882096
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384662
(3S)-N-[2-[(3R)-3-methylpiperidin-1-yl]ethyl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 124839677
(3R)-1-(2,3-diethylpyrido[2,3-b]pyrazin-7-yl)-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 95100994
(3R)-N-[2-(azepan-1-yl)ethyl]-1-[5-(3-fluorophenyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 95085821
(3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882182

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide (CID 92882153) is (3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide is O=C(NCCN1CCCCCC1)[C@H]1CCCN(c2ccncc2)C1.
What is the InChIKey of (3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is PTUBRQULADFNSG-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N4O/c24-19(21-11-15-22-12-3-1-2-4-13-22)17-6-5-14-23(16-17)18-7-9-20-10-8-18/h7-10,17H,1-6,11-16H2,(H,21,24)/t17-/m0/s1.
What are the key properties of (3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 92882153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).