3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide

C14H25N3O2 — CID 119389775

IUPAC3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide
SMILESCC(C)C(C(=O)NC1CCNCC1)N1CCCC1=O
InChIInChI=1S/C14H25N3O2/c1-10(2)13(17-9-3-4-12(17)18)14(19)16-11-5-7-15-8-6-11/h10-11,13,15H,3-9H2,1-2H3,(H,16,19)
InChIKeyRHVFFRIPEOPVNN-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.50
Rot. Bonds4

About 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide

3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide (PubChem CID 119389775) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide.

Molecular Properties

Compound Name3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide
PubChem CID119389775
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide
SMILESCC(C)C(C(=O)NC1CCNCC1)N1CCCC1=O
InChIInChI=1S/C14H25N3O2/c1-10(2)13(17-9-3-4-12(17)18)14(19)16-11-5-7-15-8-6-11/h10-11,13,15H,3-9H2,1-2H3,(H,16,19)
InChIKeyRHVFFRIPEOPVNN-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-methyl-N-[(1R,3R)-3-methylcyclohexyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 98730591
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 120813668
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-piperidin-3-ylethyl)butanamide;hydrochloride
CID 119558817
1-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one;hydrochloride
CID 119418070
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 120891077
N-[3-[[3-methyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]phenyl]cyclopropanecarboxamide
CID 47088898
N-(2-amino-2-methylpropyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide;hydrochloride
CID 119629967
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
N-[2-(ethylamino)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119508806
3-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-oxopyrrolidin-1-yl)butanamide
CID 128592950
1-[1-(4-hydroxypiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]pyrrolidin-2-one
CID 110921329
4-methyl-2-(2-oxopiperidin-1-yl)-N-piperidin-3-ylpentanamide
CID 119428669

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide?
The IUPAC name of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide (CID 119389775) is 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide.
What is the SMILES notation for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide?
The canonical SMILES for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide is CC(C)C(C(=O)NC1CCNCC1)N1CCCC1=O.
What is the InChIKey of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide?
The InChIKey is RHVFFRIPEOPVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)13(17-9-3-4-12(17)18)14(19)16-11-5-7-15-8-6-11/h10-11,13,15H,3-9H2,1-2H3,(H,16,19).
What are the key properties of 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide?
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide has a molecular weight of 267.37 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2-oxopyrrolidin-1-yl)-N-piperidin-4-ylbutanamide is sourced from PubChem (CID 119389775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).