1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide

C16H21FN2O2 — CID 42907119

IUPAC1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(C)c2cccc(F)c2)CC1
InChIInChI=1S/C16H21FN2O2/c1-11(14-4-3-5-15(17)10-14)18-16(21)13-6-8-19(9-7-13)12(2)20/h3-5,10-11,13H,6-9H2,1-2H3,(H,18,21)
InChIKeyKKAOFINGSORWSQ-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.26
Rot. Bonds3

About 1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide

1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide (PubChem CID 42907119) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
PubChem CID42907119
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NC(C)c2cccc(F)c2)CC1
InChIInChI=1S/C16H21FN2O2/c1-11(14-4-3-5-15(17)10-14)18-16(21)13-6-8-19(9-7-13)12(2)20/h3-5,10-11,13H,6-9H2,1-2H3,(H,18,21)
InChIKeyKKAOFINGSORWSQ-UHFFFAOYSA-N
XLogP2.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
1-N-cyclopropyl-4-N-[1-(3-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 51083881
4-(aminomethyl)-N-[1-(3-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 79526822
N-[1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63005470
3-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81365977
3-amino-N-[1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 66008581
N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 106740405
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
1-(2-methylpropanoyl)-N-(1-phenylethyl)piperidine-4-carboxamide
CID 113004076
1-[4-[1-(3-fluorophenyl)ethylamino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747833
2-amino-N-[(1S)-1-(3-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81366049

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide (CID 42907119) is 1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NC(C)c2cccc(F)c2)CC1.
What is the InChIKey of 1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is KKAOFINGSORWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(14-4-3-5-15(17)10-14)18-16(21)13-6-8-19(9-7-13)12(2)20/h3-5,10-11,13H,6-9H2,1-2H3,(H,18,21).
What are the key properties of 1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-(3-fluorophenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 42907119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).