4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide

C26H34ClN3O — CID 44560269

IUPAC4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide
SMILESCc1ccccc1C(c1ccc(Cl)cc1)N1CCN(C(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C26H34ClN3O/c1-20-7-5-6-10-24(20)25(22-11-13-23(27)14-12-22)29-15-17-30(18-16-29)26(31)28-19-21-8-3-2-4-9-21/h5-7,10-14,21,25H,2-4,8-9,15-19H2,1H3,(H,28,31)
InChIKeyLTCYWRLZUYNAQC-UHFFFAOYSA-N
MW440.03 g/mol
LogP5.65
Rot. Bonds5

About 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide

4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide (PubChem CID 44560269) has the molecular formula C26H34ClN3O and a molecular weight of 440.03 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide
PubChem CID44560269
Molecular FormulaC26H34ClN3O
Molecular Weight440.03 g/mol
Exact Mass439.24
IUPAC Name4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide
SMILESCc1ccccc1C(c1ccc(Cl)cc1)N1CCN(C(=O)NCC2CCCCC2)CC1
InChIInChI=1S/C26H34ClN3O/c1-20-7-5-6-10-24(20)25(22-11-13-23(27)14-12-22)29-15-17-30(18-16-29)26(31)28-19-21-8-3-2-4-9-21/h5-7,10-14,21,25H,2-4,8-9,15-19H2,1H3,(H,28,31)
InChIKeyLTCYWRLZUYNAQC-UHFFFAOYSA-N
XLogP5.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.03
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide (CID 44560269) is 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide is Cc1ccccc1C(c1ccc(Cl)cc1)N1CCN(C(=O)NCC2CCCCC2)CC1.
What is the InChIKey of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide?
The InChIKey is LTCYWRLZUYNAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O/c1-20-7-5-6-10-24(20)25(22-11-13-23(27)14-12-22)29-15-17-30(18-16-29)26(31)28-19-21-8-3-2-4-9-21/h5-7,10-14,21,25H,2-4,8-9,15-19H2,1H3,(H,28,31).
What are the key properties of 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide?
4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide has a molecular weight of 440.03 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)-(2-methylphenyl)methyl]-N-(cyclohexylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 44560269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).