5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one

C23H22ClN3O2 — CID 124942630

IUPAC5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCC[C@H]1c1ccc(Cc2ccccc2Cl)nc1
InChIInChI=1S/C23H22ClN3O2/c24-20-6-2-1-5-16(20)13-19-10-8-17(14-25-19)21-7-3-4-12-27(21)23(29)18-9-11-22(28)26-15-18/h1-2,5-6,8-11,14-15,21H,3-4,7,12-13H2,(H,26,28)/t21-/m0/s1
InChIKeyAWNYCHISEXPTQQ-NRFANRHFSA-N
MW407.90 g/mol
LogP4.38
Rot. Bonds4

About 5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one

5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 124942630) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID124942630
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCC[C@H]1c1ccc(Cc2ccccc2Cl)nc1
InChIInChI=1S/C23H22ClN3O2/c24-20-6-2-1-5-16(20)13-19-10-8-17(14-25-19)21-7-3-4-12-27(21)23(29)18-9-11-22(28)26-15-18/h1-2,5-6,8-11,14-15,21H,3-4,7,12-13H2,(H,26,28)/t21-/m0/s1
InChIKeyAWNYCHISEXPTQQ-NRFANRHFSA-N
XLogP4.38
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95810255
cyclobutyl-[2-[6-[(2-methylphenyl)methyl]-3-pyridinyl]piperidin-1-yl]methanone
CID 127251981
5-[1-(pyridine-3-carbonyl)piperidin-2-yl]-1H-pyridin-2-one
CID 166311536
5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 60958795
[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 110254415
[2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110254527
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95818042
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 55552266
N-[4-[(2R)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 95818332
[2-[6-(dimethylamino)-3-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 102539784
1-(6-oxo-1H-pyridine-3-carbonyl)azepane-2-carboxylic acid
CID 64560700
5-[(2R)-2-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 95818341

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 124942630) is 5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCCC[C@H]1c1ccc(Cc2ccccc2Cl)nc1.
What is the InChIKey of 5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is AWNYCHISEXPTQQ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c24-20-6-2-1-5-16(20)13-19-10-8-17(14-25-19)21-7-3-4-12-27(21)23(29)18-9-11-22(28)26-15-18/h1-2,5-6,8-11,14-15,21H,3-4,7,12-13H2,(H,26,28)/t21-/m0/s1.
What are the key properties of 5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 407.90 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 124942630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).