N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide

C17H25FN2O2 — CID 91836390

IUPACN-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide
SMILESCCCOC1CCCN(CCC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C17H25FN2O2/c1-2-12-22-14-6-5-10-20(13-14)11-9-17(21)19-16-8-4-3-7-15(16)18/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,19,21)
InChIKeyOHFDSVZLRLOQON-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.05
Rot. Bonds7

About N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide

N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide (PubChem CID 91836390) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide
PubChem CID91836390
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC NameN-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide
SMILESCCCOC1CCCN(CCC(=O)Nc2ccccc2F)C1
InChIInChI=1S/C17H25FN2O2/c1-2-12-22-14-6-5-10-20(13-14)11-9-17(21)19-16-8-4-3-7-15(16)18/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,19,21)
InChIKeyOHFDSVZLRLOQON-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide
CID 81452753
N-(2-fluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63264342
N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
CID 96542307
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
CID 63282550
3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
N-(3-fluoro-2-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 119920472
3-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 36881302
N-(5-chloro-2-pyridinyl)-1-[3-(2-fluoroanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 56525461
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
N-(2-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 78917112

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide (CID 91836390) is N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide is CCCOC1CCCN(CCC(=O)Nc2ccccc2F)C1.
What is the InChIKey of N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide?
The InChIKey is OHFDSVZLRLOQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-2-12-22-14-6-5-10-20(13-14)11-9-17(21)19-16-8-4-3-7-15(16)18/h3-4,7-8,14H,2,5-6,9-13H2,1H3,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide?
N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide has a molecular weight of 308.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(3-propoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 91836390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).