4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione

C24H26ClFN2O2 — CID 5052501

IUPAC4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(CCc2ccc(Cl)cc2)C(=O)CN1C1CCCCC1
InChIInChI=1S/C24H26ClFN2O2/c25-19-10-6-17(7-11-19)14-15-27-22(29)16-28(21-4-2-1-3-5-21)24(30)23(27)18-8-12-20(26)13-9-18/h6-13,21,23H,1-5,14-16H2
InChIKeyKOVPWVXRTRZGPC-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.77
Rot. Bonds5

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

4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione (PubChem CID 5052501) has the molecular formula C24H26ClFN2O2 and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione
PubChem CID5052501
Molecular FormulaC24H26ClFN2O2
Molecular Weight428.94 g/mol
Exact Mass428.17
IUPAC Name4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione
SMILESO=C1C(c2ccc(F)cc2)N(CCc2ccc(Cl)cc2)C(=O)CN1C1CCCCC1
InChIInChI=1S/C24H26ClFN2O2/c25-19-10-6-17(7-11-19)14-15-27-22(29)16-28(21-4-2-1-3-5-21)24(30)23(27)18-8-12-20(26)13-9-18/h6-13,21,23H,1-5,14-16H2
InChIKeyKOVPWVXRTRZGPC-UHFFFAOYSA-N
XLogP4.77
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Cyclohexyl-4-(1-(phenyl(4-chlorophenyl)methyl)piperazine-4-carbonyl)pyrrolidin-2-one
CID 16077262
1-(3-Chlorobenzoyl)-4-(2-fluorobenzoyl)piperazine
CID 660542
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 56680282
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-[4-(dimethylamino)cyclohexyl]propanamide
CID 56680283
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 2474665
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
(R)-N-((R)-3-(4-chlorophenyl)-1-(4-(2-(diethylamino)-1-(2-fluorophenyl)ethyl)piperazin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 6918857
2-(3-Chloro-phenyl)-N-[1-(4-fluoro-benzyl)-piperidin-4-yl]-acetamide
CID 9841846
1-[4-[(2-Chlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10005964
1-[4-[(3-Chlorophenyl)-phenylmethyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 10074489

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The IUPAC name of 4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione (CID 5052501) is 4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione.
What is the SMILES notation for 4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The canonical SMILES for 4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione is O=C1C(c2ccc(F)cc2)N(CCc2ccc(Cl)cc2)C(=O)CN1C1CCCCC1.
What is the InChIKey of 4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione?
The InChIKey is KOVPWVXRTRZGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN2O2/c25-19-10-6-17(7-11-19)14-15-27-22(29)16-28(21-4-2-1-3-5-21)24(30)23(27)18-8-12-20(26)13-9-18/h6-13,21,23H,1-5,14-16H2.
What are the key properties of 4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione?
4-[2-(4-chlorophenyl)ethyl]-1-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione has a molecular weight of 428.94 g/mol, XLogP of 4.77, 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-cyclohexyl-3-(4-fluorophenyl)piperazine-2,5-dione is sourced from PubChem (CID 5052501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).