N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide

C16H22F2N2O2 — CID 86845418

IUPACN-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide
SMILESCCOC1CCCN(C(C)C(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H22F2N2O2/c1-3-22-13-5-4-8-20(10-13)11(2)16(21)19-12-6-7-14(17)15(18)9-12/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,19,21)
InChIKeyROZOXSPXJXHVMD-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.79
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide

N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide (PubChem CID 86845418) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide
PubChem CID86845418
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC NameN-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide
SMILESCCOC1CCCN(C(C)C(=O)Nc2ccc(F)c(F)c2)C1
InChIInChI=1S/C16H22F2N2O2/c1-3-22-13-5-4-8-20(10-13)11(2)16(21)19-12-6-7-14(17)15(18)9-12/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,19,21)
InChIKeyROZOXSPXJXHVMD-UHFFFAOYSA-N
XLogP2.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-butanoyl-1,4-diazepan-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 52503097
2-(4-butanoyl-1,4-diazepan-1-yl)-N-(3,4-difluorophenyl)propanamide
CID 47068776
N-(3,4-difluorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 60500653
N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 24506608
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159
N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956363
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 42926177
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30737955
N-(3-fluoro-4-methylphenyl)-2-[4-(2-methylpropoxy)piperidin-1-yl]propanamide
CID 87022050
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275461
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide (CID 86845418) is N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide is CCOC1CCCN(C(C)C(=O)Nc2ccc(F)c(F)c2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide?
The InChIKey is ROZOXSPXJXHVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c1-3-22-13-5-4-8-20(10-13)11(2)16(21)19-12-6-7-14(17)15(18)9-12/h6-7,9,11,13H,3-5,8,10H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide?
N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide has a molecular weight of 312.36 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(3-ethoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 86845418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).