N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide

C18H27FN2O2 — CID 124752575

IUPACN-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide
SMILESCOCC[C@@H]1CCCN(CCC(=O)Nc2ccc(C)c(F)c2)C1
InChIInChI=1S/C18H27FN2O2/c1-14-5-6-16(12-17(14)19)20-18(22)7-10-21-9-3-4-15(13-21)8-11-23-2/h5-6,12,15H,3-4,7-11,13H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyJXVIJAFNJQKJLR-HNNXBMFYSA-N
MW322.42 g/mol
LogP3.21
Rot. Bonds7

About N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide

N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide (PubChem CID 124752575) has the molecular formula C18H27FN2O2 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide
PubChem CID124752575
Molecular FormulaC18H27FN2O2
Molecular Weight322.42 g/mol
Exact Mass322.21
IUPAC NameN-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide
SMILESCOCC[C@@H]1CCCN(CCC(=O)Nc2ccc(C)c(F)c2)C1
InChIInChI=1S/C18H27FN2O2/c1-14-5-6-16(12-17(14)19)20-18(22)7-10-21-9-3-4-15(13-21)8-11-23-2/h5-6,12,15H,3-4,7-11,13H2,1-2H3,(H,20,22)/t15-/m0/s1
InChIKeyJXVIJAFNJQKJLR-HNNXBMFYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956413
(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9306042
methyl 1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8742544
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 111750178
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-3-(1-methylpiperidin-3-yl)propanamide
CID 131941622
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3,4-difluorophenyl)acetamide;hydrochloride
CID 120728308
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2435257
tert-butyl N-[[1-[3-(3-fluoroanilino)-3-oxopropyl]piperidin-3-yl]methyl]carbamate
CID 60614622
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide;hydrochloride
CID 119933635
N-(3,4-dimethylphenyl)-3-piperidin-1-ylpropanamide
CID 771569

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide (CID 124752575) is N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide is COCC[C@@H]1CCCN(CCC(=O)Nc2ccc(C)c(F)c2)C1.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide?
The InChIKey is JXVIJAFNJQKJLR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27FN2O2/c1-14-5-6-16(12-17(14)19)20-18(22)7-10-21-9-3-4-15(13-21)8-11-23-2/h5-6,12,15H,3-4,7-11,13H2,1-2H3,(H,20,22)/t15-/m0/s1.
What are the key properties of N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide?
N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide has a molecular weight of 322.42 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-3-[(3S)-3-(2-methoxyethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 124752575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).