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

C23H31N3O — CID 113106761

IUPAC4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccccc1CNC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H31N3O/c1-18-7-5-6-8-19(18)17-24-22(27)26-15-13-25(14-16-26)21-11-9-20(10-12-21)23(2,3)4/h5-12H,13-17H2,1-4H3,(H,24,27)
InChIKeyNLJJNEQCYIJHLI-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.32
Rot. Bonds3

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

4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113106761) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID113106761
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccccc1CNC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C23H31N3O/c1-18-7-5-6-8-19(18)17-24-22(27)26-15-13-25(14-16-26)21-11-9-20(10-12-21)23(2,3)4/h5-12H,13-17H2,1-4H3,(H,24,27)
InChIKeyNLJJNEQCYIJHLI-UHFFFAOYSA-N
XLogP4.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
N-[(2-methylphenyl)methyl]piperidine-1-carboxamide
CID 108897154
N-[(2-fluorophenyl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113107500
4-(3-acetamidophenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106787
3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108961688
4-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 113106748
N-[(2-methylphenyl)methyl]-4-propylpiperazine-1-carboxamide
CID 113103138
N-[(2-methylphenyl)methyl]-3-[4-(4-methylpiperazin-1-yl)anilino]propanamide
CID 109019204
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526
N-[(2-methylphenyl)methyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108984636
N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974926
4-(cyclohexanecarbonyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 84528878

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide (CID 113106761) is 4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccccc1CNC(=O)N1CCN(c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is NLJJNEQCYIJHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-18-7-5-6-8-19(18)17-24-22(27)26-15-13-25(14-16-26)21-11-9-20(10-12-21)23(2,3)4/h5-12H,13-17H2,1-4H3,(H,24,27).
What are the key properties of 4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide?
4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-[(2-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113106761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).