2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one

C19H22N2O3 — CID 110225032

IUPAC2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
SMILESCOc1cccc(C(=O)N2CCCC(c3cc(=O)cc(C)[nH]3)C2)c1
InChIInChI=1S/C19H22N2O3/c1-13-9-16(22)11-18(20-13)15-6-4-8-21(12-15)19(23)14-5-3-7-17(10-14)24-2/h3,5,7,9-11,15H,4,6,8,12H2,1-2H3,(H,20,22)
InChIKeyOPSUYXVXSNCZDP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.71
Rot. Bonds3

About 2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one

2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one (PubChem CID 110225032) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
PubChem CID110225032
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
SMILESCOc1cccc(C(=O)N2CCCC(c3cc(=O)cc(C)[nH]3)C2)c1
InChIInChI=1S/C19H22N2O3/c1-13-9-16(22)11-18(20-13)15-6-4-8-21(12-15)19(23)14-5-3-7-17(10-14)24-2/h3,5,7,9-11,15H,4,6,8,12H2,1-2H3,(H,20,22)
InChIKeyOPSUYXVXSNCZDP-UHFFFAOYSA-N
XLogP2.71
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one
CID 110225304
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380
(3-methoxyphenyl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92599410
2-[1-(1-ethyl-2-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
CID 110225300
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124994211
(3-methoxyphenyl)-[3-(2H-pyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110234060
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[(3S)-3-(3,4-dimethoxyanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 42461601
(3-methoxyphenyl)-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 124968475
(3-methoxyphenyl)-[(3R)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)piperidin-1-yl]methanone
CID 92623960

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one?
The IUPAC name of 2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one (CID 110225032) is 2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one.
What is the SMILES notation for 2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one?
The canonical SMILES for 2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one is COc1cccc(C(=O)N2CCCC(c3cc(=O)cc(C)[nH]3)C2)c1.
What is the InChIKey of 2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one?
The InChIKey is OPSUYXVXSNCZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-9-16(22)11-18(20-13)15-6-4-8-21(12-15)19(23)14-5-3-7-17(10-14)24-2/h3,5,7,9-11,15H,4,6,8,12H2,1-2H3,(H,20,22).
What are the key properties of 2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one?
2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one has a molecular weight of 326.40 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 110225032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).