N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide

C19H23N3O — CID 110746835

IUPACN-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide
SMILESCC1CN(c2ccccc2)CCN1C(=O)NCc1ccccc1
InChIInChI=1S/C19H23N3O/c1-16-15-21(18-10-6-3-7-11-18)12-13-22(16)19(23)20-14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,20,23)
InChIKeyLDUGMUFDEYXLTJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.11
Rot. Bonds3

About N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide

N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide (PubChem CID 110746835) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide
PubChem CID110746835
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide
SMILESCC1CN(c2ccccc2)CCN1C(=O)NCc1ccccc1
InChIInChI=1S/C19H23N3O/c1-16-15-21(18-10-6-3-7-11-18)12-13-22(16)19(23)20-14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,20,23)
InChIKeyLDUGMUFDEYXLTJ-UHFFFAOYSA-N
XLogP3.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-2-methylpiperazine-1-carboxamide
CID 3416480
ethyl 2-methyl-4-phenylpiperazine-1-carboxylate
CID 110707926
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
N-benzyl-2-methyl-4-(3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazine-1-carboxamide
CID 42864970
N-benzyl-2,5-dimethylpiperazine-1-carboxamide
CID 107654149
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-methyl-4-(3,4,5-trifluorophenyl)piperazine-1-carboxamide
CID 129105411
N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 107653612
1-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 95549415
4-[[(2-methyl-4-phenylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122021125
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide (CID 110746835) is N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide is CC1CN(c2ccccc2)CCN1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide?
The InChIKey is LDUGMUFDEYXLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-16-15-21(18-10-6-3-7-11-18)12-13-22(16)19(23)20-14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3,(H,20,23).
What are the key properties of N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide?
N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110746835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).