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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).