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

C21H27N3O — CID 113106748

IUPAC4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NCc3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C21H27N3O/c1-16-8-9-20(18(3)14-16)23-10-12-24(13-11-23)21(25)22-15-19-7-5-4-6-17(19)2/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyKQBXQLVPTSXJAA-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.64
Rot. Bonds3

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

4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113106748) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID113106748
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NCc3ccccc3C)CC2)c(C)c1
InChIInChI=1S/C21H27N3O/c1-16-8-9-20(18(3)14-16)23-10-12-24(13-11-23)21(25)22-15-19-7-5-4-6-17(19)2/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyKQBXQLVPTSXJAA-UHFFFAOYSA-N
XLogP3.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113107799
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
4-(2,4-dimethylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108721
4-(4-chloro-2-methylphenyl)-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107485
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60551137
4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106761
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106787
N-cyclopropyl-4-(2,4-dimethylphenyl)piperazine-1-carboxamide
CID 113075398
4-(2,4-dimethylphenyl)-N-[[(3S)-1,3-dimethylpyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 126435165

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide (CID 113106748) is 4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)NCc3ccccc3C)CC2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is KQBXQLVPTSXJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-8-9-20(18(3)14-16)23-10-12-24(13-11-23)21(25)22-15-19-7-5-4-6-17(19)2/h4-9,14H,10-13,15H2,1-3H3,(H,22,25).
What are the key properties of 4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).