N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide

C15H23N3O — CID 115178034

IUPACN,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)C1CN(C)CCN1
InChIInChI=1S/C15H23N3O/c1-12-6-4-5-7-13(12)10-18(3)15(19)14-11-17(2)9-8-16-14/h4-7,14,16H,8-11H2,1-3H3
InChIKeyDEERGEJGGWXYSS-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.86
Rot. Bonds3

About N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide

N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide (PubChem CID 115178034) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide
PubChem CID115178034
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide
SMILESCc1ccccc1CN(C)C(=O)C1CN(C)CCN1
InChIInChI=1S/C15H23N3O/c1-12-6-4-5-7-13(12)10-18(3)15(19)14-11-17(2)9-8-16-14/h4-7,14,16H,8-11H2,1-3H3
InChIKeyDEERGEJGGWXYSS-UHFFFAOYSA-N
XLogP0.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
CID 115178036
(2R)-N-methyl-N-[(2-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 93042188
N,4-dimethyl-N-(2-phenylethyl)piperazine-2-carboxamide
CID 115178084
N-methyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 43579156
N-methyl-N-[(2-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119681680
N-[(3-bromophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
CID 115178038
N-methyl-N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119267102
N-methyl-N-[(2-methylphenyl)methyl]-2-(4-methyl-2-phenylpiperazin-1-yl)acetamide
CID 112801973
2-(4-aminopiperidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 43556426
N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-2-carboxamide
CID 115178047
2-(3-hydroxypyrrolidin-1-yl)-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 62916160
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 78963394

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide (CID 115178034) is N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide is Cc1ccccc1CN(C)C(=O)C1CN(C)CCN1.
What is the InChIKey of N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide?
The InChIKey is DEERGEJGGWXYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-6-4-5-7-13(12)10-18(3)15(19)14-11-17(2)9-8-16-14/h4-7,14,16H,8-11H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide?
N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 115178034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).