(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one

C20H30N3O2+ — CID 9398169

IUPAC(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one
SMILESCCCCN1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1=O
InChIInChI=1S/C20H29N3O2/c1-2-3-9-23-16-18(14-19(23)24)20(25)22-12-10-21(11-13-22)15-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3/p+1/t18-/m1/s1
InChIKeyCJXQWADCJIVLTP-GOSISDBHSA-O
MW344.48 g/mol
LogP0.56
Rot. Bonds6

About (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one

(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one (PubChem CID 9398169) has the molecular formula C20H30N3O2+ and a molecular weight of 344.48 g/mol. Its IUPAC name is (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one
PubChem CID9398169
Molecular FormulaC20H30N3O2+
Molecular Weight344.48 g/mol
Exact Mass344.23
IUPAC Name(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one
SMILESCCCCN1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1=O
InChIInChI=1S/C20H29N3O2/c1-2-3-9-23-16-18(14-19(23)24)20(25)22-12-10-21(11-13-22)15-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3/p+1/t18-/m1/s1
InChIKeyCJXQWADCJIVLTP-GOSISDBHSA-O
XLogP0.56
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-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

Related Compounds

(4S)-1-butyl-4-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 8551047
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-pentylpyrrolidin-2-one
CID 113185700
(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589
(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-[(2R)-1-methoxypropan-2-yl]pyrrolidin-2-one
CID 9364973
1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82042052
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
(4-benzylpiperazin-4-ium-1-yl)-cyclobutylmethanone
CID 7441438
4-(4-phenylpiperazine-1-carbonyl)-1-(3-phenylpropyl)pyrrolidin-2-one
CID 113185297
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
N-benzyl-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 46110151
1-butyl-4-(2,6-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 17082561

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one?
The IUPAC name of (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one (CID 9398169) is (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one?
The canonical SMILES for (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one is CCCCN1C[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1=O.
What is the InChIKey of (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one?
The InChIKey is CJXQWADCJIVLTP-GOSISDBHSA-O. The full InChI is InChI=1S/C20H29N3O2/c1-2-3-9-23-16-18(14-19(23)24)20(25)22-12-10-21(11-13-22)15-17-7-5-4-6-8-17/h4-8,18H,2-3,9-16H2,1H3/p+1/t18-/m1/s1.
What are the key properties of (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one?
(4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one has a molecular weight of 344.48 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-benzylpiperazin-4-ium-1-carbonyl)-1-butylpyrrolidin-2-one is sourced from PubChem (CID 9398169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).