1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one

C13H23N3O2 — CID 82042052

IUPAC1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCCN1CC(C(=O)N2CCNCC2)CC1=O
InChIInChI=1S/C13H23N3O2/c1-2-3-6-16-10-11(9-12(16)17)13(18)15-7-4-14-5-8-15/h11,14H,2-10H2,1H3
InChIKeyZJKBULZNCIQFQY-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.07
Rot. Bonds4

About 1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one

1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 82042052) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID82042052
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCCN1CC(C(=O)N2CCNCC2)CC1=O
InChIInChI=1S/C13H23N3O2/c1-2-3-6-16-10-11(9-12(16)17)13(18)15-7-4-14-5-8-15/h11,14H,2-10H2,1H3
InChIKeyZJKBULZNCIQFQY-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589
1-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82508282
ethyl 4-(5-oxo-1-pentylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113185693
(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 27186995
4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 119416484
1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 17082561
(4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124698826
4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 119403234
4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 113185711
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
(4S)-1-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8551047
(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one
CID 9398169

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one (CID 82042052) is 1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one is CCCCN1CC(C(=O)N2CCNCC2)CC1=O.
What is the InChIKey of 1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is ZJKBULZNCIQFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-3-6-16-10-11(9-12(16)17)13(18)15-7-4-14-5-8-15/h11,14H,2-10H2,1H3.
What are the key properties of 1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one?
1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 82042052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).