4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide

C20H24ClN3O — CID 113106958

IUPAC4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1
InChIInChI=1S/C20H24ClN3O/c1-15-4-3-5-17(12-15)14-22-20(25)24-10-8-23(9-11-24)19-13-18(21)7-6-16(19)2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)
InChIKeyZQDXYMAMEYDSEM-UHFFFAOYSA-N
MW357.89 g/mol
LogP3.99
Rot. Bonds3

About 4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide

4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113106958) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID113106958
Molecular FormulaC20H24ClN3O
Molecular Weight357.89 g/mol
Exact Mass357.16
IUPAC Name4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1cccc(CNC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1
InChIInChI=1S/C20H24ClN3O/c1-15-4-3-5-17(12-15)14-22-20(25)24-10-8-23(9-11-24)19-13-18(21)7-6-16(19)2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)
InChIKeyZQDXYMAMEYDSEM-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-chlorophenyl)ethyl]-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106931
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
N-[(3-methylphenyl)methyl]-4-(3-methyl-4-pyridinyl)-1,4-diazepane-1-carboxamide
CID 119063057
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113110979
N-[(3-methylphenyl)methyl]-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113106968
N-[(3-chlorophenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 110301195
N-[(3-methylphenyl)methyl]-4-(2,2,2-trifluoroacetyl)-1,4-diazepane-1-carboxamide
CID 119060918
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
4-(2-methoxyacetyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 87003706
4-(5-chloro-2-methylphenyl)-N-[(4-chlorophenyl)methyl]piperazine-1-carbothioamide
CID 17262773

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide (CID 113106958) is 4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide is Cc1cccc(CNC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1.
What is the InChIKey of 4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is ZQDXYMAMEYDSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O/c1-15-4-3-5-17(12-15)14-22-20(25)24-10-8-23(9-11-24)19-13-18(21)7-6-16(19)2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25).
What are the key properties of 4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide?
4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]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 4-(5-chloro-2-methylphenyl)-N-[(3-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).