2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide

C25H29Cl2N3O2 — CID 44567378

IUPAC2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)CC1
InChIInChI=1S/C25H29Cl2N3O2/c26-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)27)29-14-16-30(17-15-29)25(32)24(31)28-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,28,31)
InChIKeyUCRHXEYYWCHBFT-UHFFFAOYSA-N
MW474.43 g/mol
LogP4.68
Rot. Bonds4

About 2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide

2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide (PubChem CID 44567378) has the molecular formula C25H29Cl2N3O2 and a molecular weight of 474.43 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide
PubChem CID44567378
Molecular FormulaC25H29Cl2N3O2
Molecular Weight474.43 g/mol
Exact Mass473.16
IUPAC Name2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide
SMILESO=C(NC1CCCCC1)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)CC1
InChIInChI=1S/C25H29Cl2N3O2/c26-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)27)29-14-16-30(17-15-29)25(32)24(31)28-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,28,31)
InChIKeyUCRHXEYYWCHBFT-UHFFFAOYSA-N
XLogP4.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.43
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide?
The IUPAC name of 2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide (CID 44567378) is 2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide?
The canonical SMILES for 2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide is O=C(NC1CCCCC1)C(=O)N1CCN(C(c2ccc(Cl)cc2)c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide?
The InChIKey is UCRHXEYYWCHBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2N3O2/c26-19-12-10-18(11-13-19)23(21-8-4-5-9-22(21)27)29-14-16-30(17-15-29)25(32)24(31)28-20-6-2-1-3-7-20/h4-5,8-13,20,23H,1-3,6-7,14-17H2,(H,28,31).
What are the key properties of 2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide?
2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide has a molecular weight of 474.43 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)-(4-chlorophenyl)methyl]piperazin-1-yl]-N-cyclohexyl-2-oxoacetamide is sourced from PubChem (CID 44567378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).