3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C18H19ClN2O2 — CID 70763427

IUPAC3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccccc1C1CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1
InChIInChI=1S/C18H19ClN2O2/c1-12-5-2-3-7-15(12)13-6-4-8-21(11-13)18(23)14-9-16(19)17(22)20-10-14/h2-3,5,7,9-10,13H,4,6,8,11H2,1H3,(H,20,22)
InChIKeyYDKNEBBVYMIIEJ-UHFFFAOYSA-N
MW330.81 g/mol
LogP3.36
Rot. Bonds2

About 3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one

3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70763427) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.81 g/mol. Its IUPAC name is 3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70763427
Molecular FormulaC18H19ClN2O2
Molecular Weight330.81 g/mol
Exact Mass330.11
IUPAC Name3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1ccccc1C1CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1
InChIInChI=1S/C18H19ClN2O2/c1-12-5-2-3-7-15(12)13-6-4-8-21(11-13)18(23)14-9-16(19)17(22)20-10-14/h2-3,5,7,9-10,13H,4,6,8,11H2,1H3,(H,20,22)
InChIKeyYDKNEBBVYMIIEJ-UHFFFAOYSA-N
XLogP3.36
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-(4-phenylazepane-1-carbonyl)-1H-pyridin-2-one
CID 77081700
6-[3-(2-methylphenyl)piperidine-1-carbonyl]-1,4-dihydroquinoxaline-2,3-dione
CID 70723396
5-[3-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-3-chloro-1H-pyridin-2-one
CID 56908564
3-chloro-5-[3-(3-phenylpropanoyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70732162
3-chloro-5-[(3S)-3-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 97154594
3-chloro-5-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 124951550
3-chloro-5-[(3S)-3-[(6-methyl-3-pyridinyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 124939624
3-chloro-5-(4-cyclopentylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 56816482
[3-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-[(3S)-3-(2-methylphenyl)piperidin-1-yl]methanone
CID 125167211
[3-(5-amino-3-pyridinyl)phenyl]-[3-(2-methylphenyl)piperidin-1-yl]methanone
CID 119073506
[3-(5-amino-3-pyridinyl)phenyl]-[(3S)-3-(2-methylphenyl)piperidin-1-yl]methanone
CID 126451314
3-chloro-5-[4-[hydroxy(diphenyl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 44756569

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70763427) is 3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one is Cc1ccccc1C1CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)C1.
What is the InChIKey of 3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is YDKNEBBVYMIIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12-5-2-3-7-15(12)13-6-4-8-21(11-13)18(23)14-9-16(19)17(22)20-10-14/h2-3,5,7,9-10,13H,4,6,8,11H2,1H3,(H,20,22).
What are the key properties of 3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 330.81 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[3-(2-methylphenyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70763427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).