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

C28H32N4O2 — CID 108764132

IUPAC1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCCc1ccc(N2CC(C(=O)N3CCN(c4ccc5ccccc5n4)CC3)CC2=O)cc1
InChIInChI=1S/C28H32N4O2/c1-2-3-6-21-9-12-24(13-10-21)32-20-23(19-27(32)33)28(34)31-17-15-30(16-18-31)26-14-11-22-7-4-5-8-25(22)29-26/h4-5,7-14,23H,2-3,6,15-20H2,1H3
InChIKeyIVKAJFYKSJDPLA-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.28
Rot. Bonds6

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

1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 108764132) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID108764132
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCCCCc1ccc(N2CC(C(=O)N3CCN(c4ccc5ccccc5n4)CC3)CC2=O)cc1
InChIInChI=1S/C28H32N4O2/c1-2-3-6-21-9-12-24(13-10-21)32-20-23(19-27(32)33)28(34)31-17-15-30(16-18-31)26-14-11-22-7-4-5-8-25(22)29-26/h4-5,7-14,23H,2-3,6,15-20H2,1H3
InChIKeyIVKAJFYKSJDPLA-UHFFFAOYSA-N
XLogP4.28
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-butylphenyl)-4-(4-quinoxalin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 108763989
1-(4-butylphenyl)-4-[4-(2-methylpropanoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55578705
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-[3-(morpholine-4-carbonyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 55580326
1-(4-methylphenyl)-4-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 122334353
4-(piperazine-1-carbonyl)-1-(4-propylphenyl)pyrrolidin-2-one;hydrochloride
CID 119402263
cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
1-(4-butylphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47160631
1-(4-fluorophenyl)-4-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121060056
1-(4-chlorophenyl)-4-[4-(3-methylquinoxalin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 108809896
1-(4-ethylphenyl)-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 46563053

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 108764132) is 1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is CCCCc1ccc(N2CC(C(=O)N3CCN(c4ccc5ccccc5n4)CC3)CC2=O)cc1.
What is the InChIKey of 1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is IVKAJFYKSJDPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-2-3-6-21-9-12-24(13-10-21)32-20-23(19-27(32)33)28(34)31-17-15-30(16-18-31)26-14-11-22-7-4-5-8-25(22)29-26/h4-5,7-14,23H,2-3,6,15-20H2,1H3.
What are the key properties of 1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 456.59 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-4-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 108764132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).