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

C23H22ClN3O2 — CID 95810255

IUPAC5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1
InChIInChI=1S/C23H22ClN3O2/c24-20-8-2-1-5-16(20)13-19-7-3-9-21(26-19)18-6-4-12-27(15-18)23(29)17-10-11-22(28)25-14-17/h1-3,5,7-11,14,18H,4,6,12-13,15H2,(H,25,28)/t18-/m0/s1
InChIKeyAXWGZYSSUPWFBP-SFHVURJKSA-N
MW407.90 g/mol
LogP4.03
Rot. Bonds4

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

5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 95810255) has the molecular formula C23H22ClN3O2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID95810255
Molecular FormulaC23H22ClN3O2
Molecular Weight407.90 g/mol
Exact Mass407.14
IUPAC Name5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1
InChIInChI=1S/C23H22ClN3O2/c24-20-8-2-1-5-16(20)13-19-7-3-9-21(26-19)18-6-4-12-27(15-18)23(29)17-10-11-22(28)25-14-17/h1-3,5,7-11,14,18H,4,6,12-13,15H2,(H,25,28)/t18-/m0/s1
InChIKeyAXWGZYSSUPWFBP-SFHVURJKSA-N
XLogP4.03
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 ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 95810239
5-[(2S)-2-[6-[(2-chlorophenyl)methyl]-3-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124942630
5-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97117798
2-[(2-chlorophenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyridine
CID 110249365
[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
2-[(2-chlorophenyl)methyl]-6-[(3R)-1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 95810780
3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110253871
[(3S)-3-(6-benzyl-2-pyridinyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95809449
2-(4-fluorophenyl)-1-[3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249683
(4-fluorophenyl)-[(3S)-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 95809016
3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95810084

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one (CID 95810255) is 5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1.
What is the InChIKey of 5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is AXWGZYSSUPWFBP-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22ClN3O2/c24-20-8-2-1-5-16(20)13-19-7-3-9-21(26-19)18-6-4-12-27(15-18)23(29)17-10-11-22(28)25-14-17/h1-3,5,7-11,14,18H,4,6,12-13,15H2,(H,25,28)/t18-/m0/s1.
What are the key properties of 5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 407.90 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 95810255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).