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

C18H20ClN3O — CID 92882096

IUPAC(3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(c2ccncc2)C1
InChIInChI=1S/C18H20ClN3O/c19-16-5-1-3-14(11-16)12-21-18(23)15-4-2-10-22(13-15)17-6-8-20-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,21,23)/t15-/m1/s1
InChIKeyMYVGJPFVIVIXRD-OAHLLOKOSA-N
MW329.83 g/mol
LogP3.27
Rot. Bonds4

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

(3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 92882096) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is (3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID92882096
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name(3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(c2ccncc2)C1
InChIInChI=1S/C18H20ClN3O/c19-16-5-1-3-14(11-16)12-21-18(23)15-4-2-10-22(13-15)17-6-8-20-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,21,23)/t15-/m1/s1
InChIKeyMYVGJPFVIVIXRD-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

N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
N-[(3-chlorophenyl)methyl]-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203871
(3R)-N-[(3-chlorophenyl)methyl]-1-(6-morpholin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 92889627
N-[(3-chlorophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide
CID 46392324
(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050474
(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
CID 95050366
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43917396
N-(furan-2-ylmethyl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 20973198
(3R)-N-[(3-chlorophenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
CID 92703757
N-[(3-chlorophenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide
CID 46392276
(3R)-N-[(4-propan-2-yloxyphenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882182

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide (CID 92882096) is (3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide is O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN(c2ccncc2)C1.
What is the InChIKey of (3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is MYVGJPFVIVIXRD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-5-1-3-14(11-16)12-21-18(23)15-4-2-10-22(13-15)17-6-8-20-9-7-17/h1,3,5-9,11,15H,2,4,10,12-13H2,(H,21,23)/t15-/m1/s1.
What are the key properties of (3R)-N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
(3R)-N-[(3-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-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 92882096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).