N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide

C17H25N3O2 — CID 8543681

IUPACN-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCC(C)CC2)c(C)c1
InChIInChI=1S/C17H25N3O2/c1-12-6-8-20(9-7-12)11-16(21)19-17(22)18-15-5-4-13(2)10-14(15)3/h4-5,10,12H,6-9,11H2,1-3H3,(H2,18,19,21,22)
InChIKeyVFDLIAGAEYLFEY-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.68
Rot. Bonds3

About N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide

N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 8543681) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID8543681
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCC(C)CC2)c(C)c1
InChIInChI=1S/C17H25N3O2/c1-12-6-8-20(9-7-12)11-16(21)19-17(22)18-15-5-4-13(2)10-14(15)3/h4-5,10,12H,6-9,11H2,1-3H3,(H2,18,19,21,22)
InChIKeyVFDLIAGAEYLFEY-UHFFFAOYSA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide (CID 8543681) is N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide is Cc1ccc(NC(=O)NC(=O)CN2CCC(C)CC2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is VFDLIAGAEYLFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-6-8-20(9-7-12)11-16(21)19-17(22)18-15-5-4-13(2)10-14(15)3/h4-5,10,12H,6-9,11H2,1-3H3,(H2,18,19,21,22).
What are the key properties of N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 2.68, 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)carbamoyl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 8543681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).