5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one

C13H21N3O3 — CID 110799961

IUPAC5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCC(=O)N1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C13H21N3O3/c1-2-3-12(18)15-6-8-16(9-7-15)13(19)10-4-5-11(17)14-10/h10H,2-9H2,1H3,(H,14,17)
InChIKeyKWVRABZRBRJJEW-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.26
Rot. Bonds3

About 5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one

5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 110799961) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID110799961
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCC(=O)N1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C13H21N3O3/c1-2-3-12(18)15-6-8-16(9-7-15)13(19)10-4-5-11(17)14-10/h10H,2-9H2,1H3,(H,14,17)
InChIKeyKWVRABZRBRJJEW-UHFFFAOYSA-N
XLogP-0.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110689654
N-ethyl-4-(5-oxopyrrolidine-2-carbonyl)piperazine-1-carboxamide
CID 146126018
5-[4-[3-(4-methylphenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110804076
5-[4-[3-(4-ethylphenyl)propanoyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110809222
5-[4-[3-(4-fluorophenyl)propanoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110666021
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
5-[4-[2-(2,3,5,6-tetramethylphenyl)acetyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 110814418
(5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 114039581
5-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-one
CID 43556218
5-[4-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 63248464
5-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808253
5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 90586478

Frequently Asked Questions

What is the IUPAC name of 5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 110799961) is 5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one is CCCC(=O)N1CCN(C(=O)C2CCC(=O)N2)CC1.
What is the InChIKey of 5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is KWVRABZRBRJJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-3-12(18)15-6-8-16(9-7-15)13(19)10-4-5-11(17)14-10/h10H,2-9H2,1H3,(H,14,17).
What are the key properties of 5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one?
5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110799961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).