1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

C27H31N5O2 — CID 108763989

IUPAC1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCCc1ccc(N2CC(C(=O)N3CCN(c4cnc5ccccc5n4)CC3)CC2=O)cc1
InChIInChI=1S/C27H31N5O2/c1-2-3-6-20-9-11-22(12-10-20)32-19-21(17-26(32)33)27(34)31-15-13-30(14-16-31)25-18-28-23-7-4-5-8-24(23)29-25/h4-5,7-12,18,21H,2-3,6,13-17,19H2,1H3
InChIKeyCNQCPAQZVUCMHW-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.67
Rot. Bonds6

About 1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 108763989) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is 1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID108763989
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC Name1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCCc1ccc(N2CC(C(=O)N3CCN(c4cnc5ccccc5n4)CC3)CC2=O)cc1
InChIInChI=1S/C27H31N5O2/c1-2-3-6-20-9-11-22(12-10-20)32-19-21(17-26(32)33)27(34)31-15-13-30(14-16-31)25-18-28-23-7-4-5-8-24(23)29-25/h4-5,7-12,18,21H,2-3,6,13-17,19H2,1H3
InChIKeyCNQCPAQZVUCMHW-UHFFFAOYSA-N
XLogP3.67
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108764132
1-(4-pyrrolidin-1-ylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108741423
1-(4-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108741412
1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55578705
1-(5-chloro-2-methoxyphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108763993
1-(4-butylphenyl)-4-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55580326
1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108809896
4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119402263
1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631
1-(4-ethylphenyl)-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46563053
(4R)-4-(4-benzylpiperazine-1-carbonyl)-1-(4-ethylphenyl)pyrrolidin-2-one
CID 9388978
1-(4-ethylphenyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43034872

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 108763989) is 1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is CCCCc1ccc(N2CC(C(=O)N3CCN(c4cnc5ccccc5n4)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is CNQCPAQZVUCMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2/c1-2-3-6-20-9-11-22(12-10-20)32-19-21(17-26(32)33)27(34)31-15-13-30(14-16-31)25-18-28-23-7-4-5-8-24(23)29-25/h4-5,7-12,18,21H,2-3,6,13-17,19H2,1H3.
What are the key properties of 1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 457.58 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 108763989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).