N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide

C20H24ClN3O — CID 113107799

IUPACN-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NCc3ccccc3Cl)CC2)c(C)c1
InChIInChI=1S/C20H24ClN3O/c1-15-7-8-19(16(2)13-15)23-9-11-24(12-10-23)20(25)22-14-17-5-3-4-6-18(17)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyDXPDVZBRMIJUEQ-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.99
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide

N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113107799) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113107799
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC NameN-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NCc3ccccc3Cl)CC2)c(C)c1
InChIInChI=1S/C20H24ClN3O/c1-15-7-8-19(16(2)13-15)23-9-11-24(12-10-23)20(25)22-14-17-5-3-4-6-18(17)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyDXPDVZBRMIJUEQ-UHFFFAOYSA-N
XLogP3.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108721
N-[(2-chlorophenyl)methyl]-4-(4-methylphenyl)sulfonylpiperazine-1-carboxamide
CID 23767591
N-[(2-chlorophenyl)methyl]-4-[6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 160909800
N-[(2-chlorophenyl)methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 108897666
2-(2-chlorophenyl)-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 24535268
N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60551137
N-[2-(2-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108900383
4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106958
N-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4987887

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide (CID 113107799) is N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)NCc3ccccc3Cl)CC2)c(C)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is DXPDVZBRMIJUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-15-7-8-19(16(2)13-15)23-9-11-24(12-10-23)20(25)22-14-17-5-3-4-6-18(17)21/h3-8,13H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide?
N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 357.89 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113107799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).