4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione

C24H27ClN2O2 — CID 4252708

IUPAC4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCCC3)CC(=O)N2CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H27ClN2O2/c1-17-6-10-19(11-7-17)23-24(29)27(21-4-2-3-5-21)16-22(28)26(23)15-14-18-8-12-20(25)13-9-18/h6-13,21,23H,2-5,14-16H2,1H3
InChIKeyTYDQKKOJDLPVMR-UHFFFAOYSA-N
MW410.95 g/mol
LogP4.55
Rot. Bonds5

About 4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione

4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione (PubChem CID 4252708) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione
PubChem CID4252708
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione
SMILESCc1ccc(C2C(=O)N(C3CCCC3)CC(=O)N2CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H27ClN2O2/c1-17-6-10-19(11-7-17)23-24(29)27(21-4-2-3-5-21)16-22(28)26(23)15-14-18-8-12-20(25)13-9-18/h6-13,21,23H,2-5,14-16H2,1H3
InChIKeyTYDQKKOJDLPVMR-UHFFFAOYSA-N
XLogP4.55
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 3082718
Bibx-79
CID 501396
2-(3,4-Dichloro-phenyl)-N-methyl-N-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-acetamide
CID 4545429
N-((1S)-3-(4-(2-(4-chlorophenyl)-N-ethylacetamido)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590633
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 56680282
(2S,3S)-2-[(2-amino-2-methylpropanoyl)amino]-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-phenylphenyl)butanamide
CID 57401142
[4-(4-Chloro-benzoyl)-piperidin-1-yl]-p-tolyl-methanone
CID 1437819
N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 2932493
4-Cyclopentyl-1-(4-methylcyclohexyl)-3-(4-methylphenyl)piperazine-2,5-dione
CID 3513441
1-{4-[(4-Chloro-phenyl)-phenyl-methyl]-piperazin-1-yl}-3,3-diphenyl-propan-1-one
CID 10368509
N,N-Diethyl-4-(4-chlorophenyl-piperidin-4-ylidene-methyl)-benzamide
CID 10714960
4-[(4-Chloro-phenyl)-piperazin-1-yl-methyl]-N,N-diethyl-benzamide
CID 10786358

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione?
The IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione (CID 4252708) is 4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione is Cc1ccc(C2C(=O)N(C3CCCC3)CC(=O)N2CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione?
The InChIKey is TYDQKKOJDLPVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c1-17-6-10-19(11-7-17)23-24(29)27(21-4-2-3-5-21)16-22(28)26(23)15-14-18-8-12-20(25)13-9-18/h6-13,21,23H,2-5,14-16H2,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione?
4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione has a molecular weight of 410.95 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)ethyl]-1-cyclopentyl-3-(4-methylphenyl)piperazine-2,5-dione is sourced from PubChem (CID 4252708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).