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

C14H21N3O — CID 851971

IUPAC4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H21N3O/c1-12-3-5-13(6-4-12)11-15-14(18)17-9-7-16(2)8-10-17/h3-6H,7-11H2,1-2H3,(H,15,18)
InChIKeyFRNZYGCHVOFFKA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.45
Rot. Bonds2

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

4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 851971) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID851971
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H21N3O/c1-12-3-5-13(6-4-12)11-15-14(18)17-9-7-16(2)8-10-17/h3-6H,7-11H2,1-2H3,(H,15,18)
InChIKeyFRNZYGCHVOFFKA-UHFFFAOYSA-N
XLogP1.45
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylpiperazine
CID 75994
Urea, N,N'-bis(phenylmethyl)-
CID 72889
Benzylurea
CID 10853
N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
1-Benzyl-3-cyclohexylurea
CID 544877
4-benzhydryl-N-butylpiperazine-1-carboxamide
CID 2809754
1-benzyl-2,3-dihydro-1H-imidazol-2-one
CID 2817661
1-Benzylimidazolidin-2-one
CID 231403
2-(N-Butylcarbamoyl)-1,2,3,4-tetrahydroisoquinoline
CID 2900185
4-benzhydryl-N-cyclohexylpiperazine-1-carboxamide
CID 1358608
N-benzyl-4-cyclopentylpiperazine-1-carboxamide
CID 40012125
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide (CID 851971) is 4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccc(CNC(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is FRNZYGCHVOFFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12-3-5-13(6-4-12)11-15-14(18)17-9-7-16(2)8-10-17/h3-6H,7-11H2,1-2H3,(H,15,18).
What are the key properties of 4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 851971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).