1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one

C22H28N2O2 — CID 137343890

IUPAC1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one
SMILESCC(C)Cc1ccc(C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-16(2)14-17-4-6-19(7-5-17)22(26)24-12-9-18(10-13-24)20-8-11-23(3)21(25)15-20/h4-8,11,15-16,18H,9-10,12-14H2,1-3H3
InChIKeyDDBGJIAPRAATPQ-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.60
Rot. Bonds4

About 1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one

1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one (PubChem CID 137343890) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one
PubChem CID137343890
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one
SMILESCC(C)Cc1ccc(C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)cc1
InChIInChI=1S/C22H28N2O2/c1-16(2)14-17-4-6-19(7-5-17)22(26)24-12-9-18(10-13-24)20-8-11-23(3)21(25)15-20/h4-8,11,15-16,18H,9-10,12-14H2,1-3H3
InChIKeyDDBGJIAPRAATPQ-UHFFFAOYSA-N
XLogP3.60
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)phenyl]methanone
CID 86977180
4-[1-(4-fluoro-3-methylbenzoyl)piperidin-4-yl]-1-methylpyridin-2-one
CID 137345836
4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138383113
1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one
CID 138382325
5-[4-(1-methyl-2-oxo-4-pyridinyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 157011868
1-methyl-4-[1-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)piperidin-4-yl]pyridin-2-one
CID 138381677
[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]-(2,4,6-trifluorophenyl)methanone
CID 86953089
4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138381937
cyclopropyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110806443
4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138377733
cyclobutyl-[4-[4-(2-methylpropyl)benzoyl]-1,4-diazepan-1-yl]methanone
CID 110809297
[4-(2-methylpropyl)phenyl]-[1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-4-yl]methanone
CID 51115939

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one (CID 137343890) is 1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one is CC(C)Cc1ccc(C(=O)N2CCC(c3ccn(C)c(=O)c3)CC2)cc1.
What is the InChIKey of 1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one?
The InChIKey is DDBGJIAPRAATPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(2)14-17-4-6-19(7-5-17)22(26)24-12-9-18(10-13-24)20-8-11-23(3)21(25)15-20/h4-8,11,15-16,18H,9-10,12-14H2,1-3H3.
What are the key properties of 1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one?
1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one has a molecular weight of 352.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 137343890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).