4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide

C21H27N3O — CID 113108874

IUPAC4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(N2CCN(C(=O)NCCc3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-17-14-18(2)16-20(15-17)23-10-12-24(13-11-23)21(25)22-9-8-19-6-4-3-5-7-19/h3-7,14-16H,8-13H2,1-2H3,(H,22,25)
InChIKeyLGDIFXLCSHRVHR-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.38
Rot. Bonds4

About 4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide

4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 113108874) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID113108874
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESCc1cc(C)cc(N2CCN(C(=O)NCCc3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-17-14-18(2)16-20(15-17)23-10-12-24(13-11-23)21(25)22-9-8-19-6-4-3-5-7-19/h3-7,14-16H,8-13H2,1-2H3,(H,22,25)
InChIKeyLGDIFXLCSHRVHR-UHFFFAOYSA-N
XLogP3.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylethyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113108912
methyl 4-[4-(2-phenylethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108908
4-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108917
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
CID 91601033
4-phenyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 27537143
4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109182
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113109947
4-[[3-(3,5-dimethylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 53022727
4-(3-acetylphenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110202
1-[4-(3-methylphenyl)piperazine-1-carbonyl]-N-(2-phenylethyl)cyclopropane-1-carboxamide
CID 108977101
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide (CID 113108874) is 4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide is Cc1cc(C)cc(N2CCN(C(=O)NCCc3ccccc3)CC2)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is LGDIFXLCSHRVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17-14-18(2)16-20(15-17)23-10-12-24(13-11-23)21(25)22-9-8-19-6-4-3-5-7-19/h3-7,14-16H,8-13H2,1-2H3,(H,22,25).
What are the key properties of 4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide?
4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).