4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide

C19H23N3O — CID 24612409

IUPAC4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C)CC2c2ccccc2)cc1
InChIInChI=1S/C19H23N3O/c1-15-8-10-17(11-9-15)20-19(23)22-13-12-21(2)14-18(22)16-6-4-3-5-7-16/h3-11,18H,12-14H2,1-2H3,(H,20,23)
InChIKeyOXLFNOXINSLDSE-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.52
Rot. Bonds2

About 4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide

4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide (PubChem CID 24612409) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
PubChem CID24612409
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(C)CC2c2ccccc2)cc1
InChIInChI=1S/C19H23N3O/c1-15-8-10-17(11-9-15)20-19(23)22-13-12-21(2)14-18(22)16-6-4-3-5-7-16/h3-11,18H,12-14H2,1-2H3,(H,20,23)
InChIKeyOXLFNOXINSLDSE-UHFFFAOYSA-N
XLogP3.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-phenyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 42934686
(2R)-4-methyl-2-phenyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 41484317
(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide
CID 97314638
(2S)-4-methyl-2-phenyl-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 51945996
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332906
4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332907
4-methyl-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-2-phenylpiperazine-1-carboxamide
CID 47041629
(2S)-N-[3-(difluoromethoxy)phenyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 51952919
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3258959
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide (CID 24612409) is 4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(C)CC2c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide?
The InChIKey is OXLFNOXINSLDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-8-10-17(11-9-15)20-19(23)22-13-12-21(2)14-18(22)16-6-4-3-5-7-16/h3-11,18H,12-14H2,1-2H3,(H,20,23).
What are the key properties of 4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide?
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 24612409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).