N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide

C15H23N3O — CID 115177796

IUPACN-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CNCCN2C)c(C)c1
InChIInChI=1S/C15H23N3O/c1-11-4-5-13(12(2)8-11)9-17-15(19)14-10-16-6-7-18(14)3/h4-5,8,14,16H,6-7,9-10H2,1-3H3,(H,17,19)
InChIKeyRCISGQYYTLAVGG-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.82
Rot. Bonds3

About N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide

N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide (PubChem CID 115177796) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide
PubChem CID115177796
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide
SMILESCc1ccc(CNC(=O)C2CNCCN2C)c(C)c1
InChIInChI=1S/C15H23N3O/c1-11-4-5-13(12(2)8-11)9-17-15(19)14-10-16-6-7-18(14)3/h4-5,8,14,16H,6-7,9-10H2,1-3H3,(H,17,19)
InChIKeyRCISGQYYTLAVGG-UHFFFAOYSA-N
XLogP0.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177804
N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177811
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperazine-2-carboxamide
CID 115177813
1-methyl-N-(thiophen-2-ylmethyl)piperazine-2-carboxamide
CID 115177787
(2-methoxy-5-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919686
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919749
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132
N-[(2,4-dimethylphenyl)methyl]-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidine-2-carboxamide
CID 146358006
N-[(4-methyl-2-methylsulfanylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119811706
N-[(2,4-dimethylphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 86925542
2-(2,5-dimethylphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 62537843
N-[(2,4-dimethylphenyl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 55583735

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide (CID 115177796) is N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide is Cc1ccc(CNC(=O)C2CNCCN2C)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide?
The InChIKey is RCISGQYYTLAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-4-5-13(12(2)8-11)9-17-15(19)14-10-16-6-7-18(14)3/h4-5,8,14,16H,6-7,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide?
N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-1-methylpiperazine-2-carboxamide is sourced from PubChem (CID 115177796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).