N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide

C17H25N3O2 — CID 3041065

IUPACN-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCCC(C)C2)cc1C
InChIInChI=1S/C17H25N3O2/c1-12-5-4-8-20(10-12)11-16(21)19-17(22)18-15-7-6-13(2)14(3)9-15/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H2,18,19,21,22)
InChIKeyIXKJZBKSCGZHRW-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.68
Rot. Bonds3

About N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide

N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 3041065) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID3041065
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCc1ccc(NC(=O)NC(=O)CN2CCCC(C)C2)cc1C
InChIInChI=1S/C17H25N3O2/c1-12-5-4-8-20(10-12)11-16(21)19-17(22)18-15-7-6-13(2)14(3)9-15/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H2,18,19,21,22)
InChIKeyIXKJZBKSCGZHRW-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-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide (CID 3041065) is N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide is Cc1ccc(NC(=O)NC(=O)CN2CCCC(C)C2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is IXKJZBKSCGZHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-5-4-8-20(10-12)11-16(21)19-17(22)18-15-7-6-13(2)14(3)9-15/h6-7,9,12H,4-5,8,10-11H2,1-3H3,(H2,18,19,21,22).
What are the key properties of N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide?
N-[(3,4-dimethylphenyl)carbamoyl]-2-(3-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-[(3,4-dimethylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 3041065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).