N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide

C21H27N3O — CID 6466682

IUPACN-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)Nc3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-16-5-8-19(9-6-16)15-23-10-12-24(13-11-23)21(25)22-20-14-17(2)4-7-18(20)3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyMVJAGXJDEWDJFF-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.96
Rot. Bonds3

About N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide

N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 6466682) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID6466682
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)Nc3cc(C)ccc3C)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-16-5-8-19(9-6-16)15-23-10-12-24(13-11-23)21(25)22-20-14-17(2)4-7-18(20)3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)
InChIKeyMVJAGXJDEWDJFF-UHFFFAOYSA-N
XLogP3.96
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide (CID 6466682) is N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccc(CN2CCN(C(=O)Nc3cc(C)ccc3C)CC2)cc1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is MVJAGXJDEWDJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-5-8-19(9-6-16)15-23-10-12-24(13-11-23)21(25)22-20-14-17(2)4-7-18(20)3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25).
What are the key properties of N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.96, 3 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-[(4-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 6466682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).