1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone

C23H26Cl3N3O — CID 11496417

IUPAC1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C23H26Cl3N3O/c1-16(30)27-10-8-20(9-11-27)28-12-13-29(22-7-6-19(25)14-21(22)26)23(15-28)17-2-4-18(24)5-3-17/h2-7,14,20,23H,8-13,15H2,1H3
InChIKeyFMXAFCXWTICMIV-UHFFFAOYSA-N
MW466.84 g/mol
LogP5.52
Rot. Bonds3

About 1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone

1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone (PubChem CID 11496417) has the molecular formula C23H26Cl3N3O and a molecular weight of 466.84 g/mol. Its IUPAC name is 1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone
PubChem CID11496417
Molecular FormulaC23H26Cl3N3O
Molecular Weight466.84 g/mol
Exact Mass465.11
IUPAC Name1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)CC1
InChIInChI=1S/C23H26Cl3N3O/c1-16(30)27-10-8-20(9-11-27)28-12-13-29(22-7-6-19(25)14-21(22)26)23(15-28)17-2-4-18(24)5-3-17/h2-7,14,20,23H,8-13,15H2,1H3
InChIKeyFMXAFCXWTICMIV-UHFFFAOYSA-N
XLogP5.52
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.84
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone (CID 11496417) is 1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(N2CCN(c3ccc(Cl)cc3Cl)C(c3ccc(Cl)cc3)C2)CC1.
What is the InChIKey of 1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is FMXAFCXWTICMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl3N3O/c1-16(30)27-10-8-20(9-11-27)28-12-13-29(22-7-6-19(25)14-21(22)26)23(15-28)17-2-4-18(24)5-3-17/h2-7,14,20,23H,8-13,15H2,1H3.
What are the key properties of 1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone?
1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 466.84 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 11496417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).