1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one

C19H29N3O2 — CID 138382325

IUPAC1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one
SMILESCC(CC(=O)N1CCC(c2ccn(C)c(=O)c2)CC1)N1CCCC1
InChIInChI=1S/C19H29N3O2/c1-15(21-8-3-4-9-21)13-19(24)22-11-6-16(7-12-22)17-5-10-20(2)18(23)14-17/h5,10,14-16H,3-4,6-9,11-13H2,1-2H3
InChIKeyVDFMTTWHLLLSAK-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.97
Rot. Bonds4

About 1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one

1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one (PubChem CID 138382325) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one
PubChem CID138382325
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one
SMILESCC(CC(=O)N1CCC(c2ccn(C)c(=O)c2)CC1)N1CCCC1
InChIInChI=1S/C19H29N3O2/c1-15(21-8-3-4-9-21)13-19(24)22-11-6-16(7-12-22)17-5-10-20(2)18(23)14-17/h5,10,14-16H,3-4,6-9,11-13H2,1-2H3
InChIKeyVDFMTTWHLLLSAK-UHFFFAOYSA-N
XLogP1.97
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-[1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]pyridin-2-one
CID 138387811
4-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138383113
4-[1-[(2R)-2-cyclohexyl-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138377733
1-methyl-4-[1-[4-(2-methylpropyl)benzoyl]piperidin-4-yl]pyridin-2-one
CID 137343890
4-[1-[2-(3-chloro-4-hydroxyphenyl)acetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138381937
4-[1-[2-(2-chlorophenyl)-2-hydroxyacetyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138377841
4-[1-[(1S,3R,4R)-4-amino-3-hydroxycyclohexanecarbonyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 155493512
4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 138379812
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-[(2S)-1-prop-2-enylpyrrolidine-2-carbonyl]piperidin-4-yl]pyridin-2-one
CID 138382467
4-[1-[(2R)-2-amino-3-methyl-3-methylsulfanylbutanoyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 157011165
4-[1-[2-(3-chlorophenoxy)propanoyl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138384238

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one (CID 138382325) is 1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one is CC(CC(=O)N1CCC(c2ccn(C)c(=O)c2)CC1)N1CCCC1.
What is the InChIKey of 1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one?
The InChIKey is VDFMTTWHLLLSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15(21-8-3-4-9-21)13-19(24)22-11-6-16(7-12-22)17-5-10-20(2)18(23)14-17/h5,10,14-16H,3-4,6-9,11-13H2,1-2H3.
What are the key properties of 1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one?
1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one has a molecular weight of 331.46 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one is sourced from PubChem (CID 138382325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).