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

C23H31N3O — CID 113214181

IUPAC4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide
SMILESCc1ccc(C(C)(C)CNC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-19-9-11-21(12-10-19)23(2,3)18-24-22(27)26-15-13-25(14-16-26)17-20-7-5-4-6-8-20/h4-12H,13-18H2,1-3H3,(H,24,27)
InChIKeyNJMVUEJSZSVGQH-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.80
Rot. Bonds5

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

4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide (PubChem CID 113214181) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide
PubChem CID113214181
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide
SMILESCc1ccc(C(C)(C)CNC(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-19-9-11-21(12-10-19)23(2,3)18-24-22(27)26-15-13-25(14-16-26)17-20-7-5-4-6-8-20/h4-12H,13-18H2,1-3H3,(H,24,27)
InChIKeyNJMVUEJSZSVGQH-UHFFFAOYSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023
4-(2-methoxyacetyl)-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide
CID 56825527
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-(2-methyl-2-phenylpropyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 113213243
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 113213456
2-[[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]amino]benzoic acid
CID 69297960
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
2-amino-1-(4-benzylpiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 76892322
4-[2-[(4-benzylpiperazine-1-carbonyl)amino]ethyl]benzoic acid
CID 174672061
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2,2-dimethylpropanamide
CID 37165106

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide (CID 113214181) is 4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide is Cc1ccc(C(C)(C)CNC(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide?
The InChIKey is NJMVUEJSZSVGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-19-9-11-21(12-10-19)23(2,3)18-24-22(27)26-15-13-25(14-16-26)17-20-7-5-4-6-8-20/h4-12H,13-18H2,1-3H3,(H,24,27).
What are the key properties of 4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide?
4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[2-methyl-2-(4-methylphenyl)propyl]piperazine-1-carboxamide is sourced from PubChem (CID 113214181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).