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

C21H27N3O — CID 6470753

IUPACN-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-17-8-9-18(2)20(16-17)22-21(25)24-14-12-23(13-15-24)11-10-19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyRHIQWORPWUAJCS-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.70
Rot. Bonds4

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

N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide (PubChem CID 6470753) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
PubChem CID6470753
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCN(CCc3ccccc3)CC2)c1
InChIInChI=1S/C21H27N3O/c1-17-8-9-18(2)20(16-17)22-21(25)24-14-12-23(13-15-24)11-10-19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,22,25)
InChIKeyRHIQWORPWUAJCS-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682
4-(aminosulfanylmethyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 141244559
N-(3,4-dimethylphenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110099
4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113109129
N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109387
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
N-(2,5-dimethylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23829397
N-(5-chloro-2-methylphenyl)-4-[2-(2-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113108965
N-(4-chloro-2-methylphenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109916
4-[(5-chlorothiophen-2-yl)methyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17149156
N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111
4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111598

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide (CID 6470753) is N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCN(CCc3ccccc3)CC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
The InChIKey is RHIQWORPWUAJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-17-8-9-18(2)20(16-17)22-21(25)24-14-12-23(13-15-24)11-10-19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,22,25).
What are the key properties of N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide?
N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-(2-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 6470753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).