N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide

C14H18F2N2O — CID 172895134

IUPACN-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CNCC(F)(F)C2)cc1
InChIInChI=1S/C14H18F2N2O/c1-2-10-3-5-12(6-4-10)18-13(19)11-7-14(15,16)9-17-8-11/h3-6,11,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyJXUNQRYBFJRFAD-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.43
Rot. Bonds3

About N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide

N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide (PubChem CID 172895134) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide
PubChem CID172895134
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC NameN-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2CNCC(F)(F)C2)cc1
InChIInChI=1S/C14H18F2N2O/c1-2-10-3-5-12(6-4-10)18-13(19)11-7-14(15,16)9-17-8-11/h3-6,11,17H,2,7-9H2,1H3,(H,18,19)
InChIKeyJXUNQRYBFJRFAD-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-ethylphenyl)-5,5-difluoropiperidine-3-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

4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445
4-N-butan-2-yl-1-N-(4-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145490
N-(4-ethylphenyl)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 112524042
(3S)-N-(4-ethylphenyl)-1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 9374219
4-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)cyclohexane-1-carboxamide
CID 109147720
4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797
N-(4-ethylphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 1327593
N-(4-ethylphenyl)-4-(4-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146283
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917505
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
N-(4-ethylphenyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3223112
1-(dimethylsulfamoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 41454669

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide (CID 172895134) is N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide is CCc1ccc(NC(=O)C2CNCC(F)(F)C2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide?
The InChIKey is JXUNQRYBFJRFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c1-2-10-3-5-12(6-4-10)18-13(19)11-7-14(15,16)9-17-8-11/h3-6,11,17H,2,7-9H2,1H3,(H,18,19).
What are the key properties of N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide?
N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide has a molecular weight of 268.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5,5-difluoropiperidine-3-carboxamide is sourced from PubChem (CID 172895134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).