N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide

C21H27N3O — CID 113106580

IUPACN-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(N2CCN(C(=O)NCc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H27N3O/c1-16-13-17(2)20(18(3)14-16)23-9-11-24(12-10-23)21(25)22-15-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)
InChIKeyIVGSLQSDVXIQJA-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.64
Rot. Bonds3

About N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide

N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (PubChem CID 113106580) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
PubChem CID113106580
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(N2CCN(C(=O)NCc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H27N3O/c1-16-13-17(2)20(18(3)14-16)23-9-11-24(12-10-23)21(25)22-15-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)
InChIKeyIVGSLQSDVXIQJA-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chloro-4,6-dimethylphenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108589
N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113104079
N-benzyl-4-[2-(2,5-dimethylphenyl)acetyl]piperazine-1-carboxamide
CID 110812883
N-benzyl-4-(3-methylbenzoyl)piperazine-1-carboxamide
CID 23855406
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
N-benzylazonane-1-carboxamide
CID 130689649
N-benzyl-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 110810660
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
4-(2-chloro-4,6-dimethylphenyl)-N-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106498
N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
CID 113106592
N-benzyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 23881003
4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108874

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide (CID 113106580) is N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is Cc1cc(C)c(N2CCN(C(=O)NCc3ccccc3)CC2)c(C)c1.
What is the InChIKey of N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
The InChIKey is IVGSLQSDVXIQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-13-17(2)20(18(3)14-16)23-9-11-24(12-10-23)21(25)22-15-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25).
What are the key properties of N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide?
N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113106580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).