4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide

C25H27N3O — CID 1305709

IUPAC4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)c1C
InChIInChI=1S/C25H27N3O/c1-20-10-9-15-24(21(20)2)26-16-18-27(19-17-26)25(29)28(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-15H,16-19H2,1-2H3
InChIKeyWHMZCIYEKLKNET-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.38
Rot. Bonds3

About 4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide

4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide (PubChem CID 1305709) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
PubChem CID1305709
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)c1C
InChIInChI=1S/C25H27N3O/c1-20-10-9-15-24(21(20)2)26-16-18-27(19-17-26)25(29)28(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-15H,16-19H2,1-2H3
InChIKeyWHMZCIYEKLKNET-UHFFFAOYSA-N
XLogP5.38
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-hydroxyphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 14302847
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-2-oxo-N-phenylacetamide
CID 108521011
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897065
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,2,2-trimethyl-3-oxo-N-phenylpropanamide
CID 108965462
2-chloro-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 43243118
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethyl-3-oxo-N-phenylpropanamide
CID 108950576
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone;1-fluoro-2-methylbenzene
CID 144750411
N'-benzoyl-4-(2,3-dimethylphenyl)piperazine-1-carbohydrazide
CID 51113389
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methyl-N-phenylpropanamide
CID 109029653
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide?
The IUPAC name of 4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide (CID 1305709) is 4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide?
The InChIKey is WHMZCIYEKLKNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-20-10-9-15-24(21(20)2)26-16-18-27(19-17-26)25(29)28(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-15H,16-19H2,1-2H3.
What are the key properties of 4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide?
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide is sourced from PubChem (CID 1305709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).