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

C21H27N3O — CID 113107023

IUPAC4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)NCCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-18-7-9-20(10-8-18)17-23-13-15-24(16-14-23)21(25)22-12-11-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyGICWHTIMAQAMOW-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.06
Rot. Bonds5

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

4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 113107023) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID113107023
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)NCCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-18-7-9-20(10-8-18)17-23-13-15-24(16-14-23)21(25)22-12-11-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,22,25)
InChIKeyGICWHTIMAQAMOW-UHFFFAOYSA-N
XLogP3.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-[(4-benzylpiperazine-1-carbonyl)amino]ethyl]benzoic acid
CID 174672061
4-ethyl-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 108891161
N-[2-(4-chlorophenyl)ethyl]-4-[(3-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106832
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide
CID 113214181
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-[2-(4-methoxyphenyl)ethyl]-4-(2-phenylethyl)piperazine-1-carboxamide
CID 35961140
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047
N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108874
2-[[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]amino]benzoic acid
CID 69297960

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide (CID 113107023) is 4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide is Cc1ccc(CN2CCN(C(=O)NCCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is GICWHTIMAQAMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-18-7-9-20(10-8-18)17-23-13-15-24(16-14-23)21(25)22-12-11-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,22,25).
What are the key properties of 4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide?
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113107023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).