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

C22H26N3O2+ — CID 7964634

IUPAC1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3O2/c26-21-7-4-12-25(21)20-10-8-19(9-11-20)22(27)24-15-13-23(14-16-24)17-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-17H2/p+1
InChIKeyAYOUUMBNAIVLTD-UHFFFAOYSA-O
MW364.47 g/mol
LogP1.35
Rot. Bonds4

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

1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one (PubChem CID 7964634) has the molecular formula C22H26N3O2+ and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
PubChem CID7964634
Molecular FormulaC22H26N3O2+
Molecular Weight364.47 g/mol
Exact Mass364.20
IUPAC Name1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
SMILESO=C(c1ccc(N2CCCC2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1
InChIInChI=1S/C22H25N3O2/c26-21-7-4-12-25(21)20-10-8-19(9-11-20)22(27)24-15-13-23(14-16-24)17-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-17H2/p+1
InChIKeyAYOUUMBNAIVLTD-UHFFFAOYSA-O
XLogP1.35
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzylpiperazin-4-ium-1-yl)-phenylmethanone chloride
CID 18530111
1-[4-(4-methylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one
CID 7446641
(4-benzylpiperazin-4-ium-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 8713455
1-[2-chloro-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]pyrrolidin-2-one
CID 9226697
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429
N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9451484
4-hydroxy-1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidine-4-carboxylic acid
CID 119250901
1-[4-[4-(4-chlorophenyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 3680379
(4-benzylpiperazin-4-ium-1-yl)-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methanone
CID 6982704
1-[4-[(3R)-3-(hydroxymethyl)-3-(2-phenylethyl)piperidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 42393004
1-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]piperidin-2-one
CID 110882060

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one (CID 7964634) is 1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one is O=C(c1ccc(N2CCCC2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1.
What is the InChIKey of 1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one?
The InChIKey is AYOUUMBNAIVLTD-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H25N3O2/c26-21-7-4-12-25(21)20-10-8-19(9-11-20)22(27)24-15-13-23(14-16-24)17-18-5-2-1-3-6-18/h1-3,5-6,8-11H,4,7,12-17H2/p+1.
What are the key properties of 1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one?
1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one has a molecular weight of 364.47 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-benzylpiperazin-4-ium-1-carbonyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 7964634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).