N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide

C24H33ClN4O3 — CID 11408562

IUPACN-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide
SMILESO=C(N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCC1
InChIInChI=1S/C24H33ClN4O3/c25-19-8-5-9-20(16-19)28-14-12-27(13-15-28)10-3-4-11-29-22(30)17-21(24(29)32)26-23(31)18-6-1-2-7-18/h5,8-9,16,18,21H,1-4,6-7,10-15,17H2,(H,26,31)/t21-/m0/s1
InChIKeyDIGSPDFIECXXEM-NRFANRHFSA-N
MW461.01 g/mol
LogP2.68
Rot. Bonds8

About N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide

N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide (PubChem CID 11408562) has the molecular formula C24H33ClN4O3 and a molecular weight of 461.01 g/mol. Its IUPAC name is N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide
PubChem CID11408562
Molecular FormulaC24H33ClN4O3
Molecular Weight461.01 g/mol
Exact Mass460.22
IUPAC NameN-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide
SMILESO=C(N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCC1
InChIInChI=1S/C24H33ClN4O3/c25-19-8-5-9-20(16-19)28-14-12-27(13-15-28)10-3-4-11-29-22(30)17-21(24(29)32)26-23(31)18-6-1-2-7-18/h5,8-9,16,18,21H,1-4,6-7,10-15,17H2,(H,26,31)/t21-/m0/s1
InChIKeyDIGSPDFIECXXEM-NRFANRHFSA-N
XLogP2.68
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.01
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 571477
N-(3-chlorophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3112066
N1-(4-chlorophenyl)-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
CID 2806928
1-(4-chlorophenyl)-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 2926635
N-(3-chloro-2-methylphenyl)-2-(3-oxopiperazin-2-yl)acetamide
CID 2950283
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3-dione
CID 3239993
N-[(2R)-1-[4-(4-chlorophenyl)-3,3-dimethylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]cyclopentanecarboxamide
CID 24738063
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437569
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclobutylimidazolidine-2,4-dione
CID 121437752
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 121437858
5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 121437928
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-propan-2-ylimidazolidine-2,4-dione
CID 134368738

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide (CID 11408562) is N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide is O=C(N[C@H]1CC(=O)N(CCCCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCC1.
What is the InChIKey of N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide?
The InChIKey is DIGSPDFIECXXEM-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33ClN4O3/c25-19-8-5-9-20(16-19)28-14-12-27(13-15-28)10-3-4-11-29-22(30)17-21(24(29)32)26-23(31)18-6-1-2-7-18/h5,8-9,16,18,21H,1-4,6-7,10-15,17H2,(H,26,31)/t21-/m0/s1.
What are the key properties of N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide?
N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide has a molecular weight of 461.01 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-2,5-dioxopyrrolidin-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 11408562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).