(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide

C18H20ClN3O — CID 92882098

IUPAC(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccncc2)C1
InChIInChI=1S/C18H20ClN3O/c19-16-5-3-14(4-6-16)12-21-18(23)15-2-1-11-22(13-15)17-7-9-20-10-8-17/h3-10,15H,1-2,11-13H2,(H,21,23)/t15-/m1/s1
InChIKeyPOTQBANZFFEIDE-OAHLLOKOSA-N
MW329.83 g/mol
LogP3.27
Rot. Bonds4

About (3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide

(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 92882098) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is (3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID92882098
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccncc2)C1
InChIInChI=1S/C18H20ClN3O/c19-16-5-3-14(4-6-16)12-21-18(23)15-2-1-11-22(13-15)17-7-9-20-10-8-17/h3-10,15H,1-2,11-13H2,(H,21,23)/t15-/m1/s1
InChIKeyPOTQBANZFFEIDE-OAHLLOKOSA-N
XLogP3.27
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882096
(3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882182
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 35617033
N-(furan-2-ylmethyl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 20973198
(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882153
N-[(4-chlorophenyl)methyl]-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71701098
(3R)-N-[(4-chlorophenyl)methyl]-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085941
(3S)-1-(1-methyl-6-oxopyridazin-4-yl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 95115690
N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384662
(3S)-N-[(4-chlorophenyl)methyl]-1-quinoxalin-2-ylpiperidine-3-carboxamide
CID 42584756
(3S)-1-methyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 96568235

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide (CID 92882098) is (3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)[C@@H]1CCCN(c2ccncc2)C1.
What is the InChIKey of (3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is POTQBANZFFEIDE-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-5-3-14(4-6-16)12-21-18(23)15-2-1-11-22(13-15)17-7-9-20-10-8-17/h3-10,15H,1-2,11-13H2,(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 92882098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).