2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide

C17H24FN3O2 — CID 56885032

IUPAC2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCC(=O)NCCC1CCCCN1C(=O)NCc1ccccc1F
InChIInChI=1S/C17H24FN3O2/c1-13(22)19-10-9-15-7-4-5-11-21(15)17(23)20-12-14-6-2-3-8-16(14)18/h2-3,6,8,15H,4-5,7,9-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyDGNIDQPPMKEJES-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.42
Rot. Bonds5

About 2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide

2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 56885032) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID56885032
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide
SMILESCC(=O)NCCC1CCCCN1C(=O)NCc1ccccc1F
InChIInChI=1S/C17H24FN3O2/c1-13(22)19-10-9-15-7-4-5-11-21(15)17(23)20-12-14-6-2-3-8-16(14)18/h2-3,6,8,15H,4-5,7,9-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyDGNIDQPPMKEJES-UHFFFAOYSA-N
XLogP2.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide (CID 56885032) is 2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide is CC(=O)NCCC1CCCCN1C(=O)NCc1ccccc1F.
What is the InChIKey of 2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is DGNIDQPPMKEJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-13(22)19-10-9-15-7-4-5-11-21(15)17(23)20-12-14-6-2-3-8-16(14)18/h2-3,6,8,15H,4-5,7,9-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide?
2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidoethyl)-N-[(2-fluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 56885032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).