N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide

C20H25N3O — CID 108988839

IUPACN-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O/c1-17-7-6-10-19(15-17)22-11-13-23(14-12-22)20(24)21(2)16-18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyHTUHENRYDDJWBW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.37
Rot. Bonds3

About N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide

N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 108988839) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID108988839
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H25N3O/c1-17-7-6-10-19(15-17)22-11-13-23(14-12-22)20(24)21(2)16-18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3
InChIKeyHTUHENRYDDJWBW-UHFFFAOYSA-N
XLogP3.37
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-methyl-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108975522
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 108518852
2-(N-methylanilino)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 41335038
4-[4-(3-methylphenyl)piperazin-1-yl]-4-oxobut-2-enoic acid
CID 57367851
N-[(3-fluorophenyl)methyl]-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 46662860
N-benzyl-4-(3-bromo-4-methylbenzoyl)-N-methylpiperazine-1-carboxamide
CID 154848643
N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164005
1-[4-(3-methylphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 39073649
3-(3-methylphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 127121714
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053119

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide (CID 108988839) is N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)N(C)Cc3ccccc3)CC2)c1.
What is the InChIKey of N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is HTUHENRYDDJWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-17-7-6-10-19(15-17)22-11-13-23(14-12-22)20(24)21(2)16-18-8-4-3-5-9-18/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide?
N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108988839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).