N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide

C16H23N3O2 — CID 3041063

IUPACN-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCc1ccccc1NC(=O)NC(=O)CN1CCCC(C)C1
InChIInChI=1S/C16H23N3O2/c1-12-6-5-9-19(10-12)11-15(20)18-16(21)17-14-8-4-3-7-13(14)2/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,17,18,20,21)
InChIKeyFYSFUHAWECNCBP-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.38
Rot. Bonds3

About N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide

N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 3041063) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID3041063
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCc1ccccc1NC(=O)NC(=O)CN1CCCC(C)C1
InChIInChI=1S/C16H23N3O2/c1-12-6-5-9-19(10-12)11-15(20)18-16(21)17-14-8-4-3-7-13(14)2/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,17,18,20,21)
InChIKeyFYSFUHAWECNCBP-UHFFFAOYSA-N
XLogP2.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide (CID 3041063) is N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide is Cc1ccccc1NC(=O)NC(=O)CN1CCCC(C)C1.
What is the InChIKey of N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is FYSFUHAWECNCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-6-5-9-19(10-12)11-15(20)18-16(21)17-14-8-4-3-7-13(14)2/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H2,17,18,20,21).
What are the key properties of N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide?
N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)carbamoyl]-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 3041063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).