1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one

C16H22N3O2+ — CID 7446641

IUPAC1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESC[NH+]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C16H21N3O2/c1-17-9-11-18(12-10-17)16(21)13-4-6-14(7-5-13)19-8-2-3-15(19)20/h4-7H,2-3,8-12H2,1H3/p+1
InChIKeyLIVVUXHYXGISFG-UHFFFAOYSA-O
MW288.37 g/mol
LogP-0.22
Rot. Bonds2

About 1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one

1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 7446641) has the molecular formula C16H22N3O2+ and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID7446641
Molecular FormulaC16H22N3O2+
Molecular Weight288.37 g/mol
Exact Mass288.17
IUPAC Name1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESC[NH+]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
InChIInChI=1S/C16H21N3O2/c1-17-9-11-18(12-10-17)16(21)13-4-6-14(7-5-13)19-8-2-3-15(19)20/h4-7H,2-3,8-12H2,1H3/p+1
InChIKeyLIVVUXHYXGISFG-UHFFFAOYSA-O
XLogP-0.22
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429
[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6931777
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
CID 7964634
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
1-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]piperidin-2-one
CID 110882060
4-hydroxy-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylic acid
CID 119250901
1-[4-(1,3-thiazolidine-3-carbonyl)phenyl]pyrrolidin-2-one
CID 29184328
1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one
CID 72838464
1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 32978699
(1R,5S)-3-[4-(2-oxopyrrolidin-1-yl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
CID 135109292
1-[4-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 27744247

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one (CID 7446641) is 1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one is C[NH+]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is LIVVUXHYXGISFG-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21N3O2/c1-17-9-11-18(12-10-17)16(21)13-4-6-14(7-5-13)19-8-2-3-15(19)20/h4-7H,2-3,8-12H2,1H3/p+1.
What are the key properties of 1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 288.37 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 7446641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).