3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide

C16H21FN2O3 — CID 154757557

IUPAC3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide
SMILESCOc1cccc(CCC(=O)NC2CCC(=O)NC2C)c1F
InChIInChI=1S/C16H21FN2O3/c1-10-12(7-9-14(20)18-10)19-15(21)8-6-11-4-3-5-13(22-2)16(11)17/h3-5,10,12H,6-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXGFCNIXLSCIYPN-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.55
Rot. Bonds5

About 3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide

3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide (PubChem CID 154757557) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide
PubChem CID154757557
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide
SMILESCOc1cccc(CCC(=O)NC2CCC(=O)NC2C)c1F
InChIInChI=1S/C16H21FN2O3/c1-10-12(7-9-14(20)18-10)19-15(21)8-6-11-4-3-5-13(22-2)16(11)17/h3-5,10,12H,6-9H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyXGFCNIXLSCIYPN-UHFFFAOYSA-N
XLogP1.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 51723970
2-(2-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylethanone
CID 116547496
(Z)-2-[2-(2-fluoro-3-methoxyphenyl)ethyl]but-2-enoic acid
CID 174954206
N-[2-(aminomethyl)cyclohexyl]-3-(2-methoxyphenyl)propanamide;hydrochloride
CID 119609653
1-[(2-fluoro-3-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 104795317
6-(2-fluoro-3-methoxyphenyl)hexan-3-one
CID 104795064
2-methyl-N-(2-methyl-6-oxopiperidin-3-yl)butanamide
CID 134565833
3-(2,3-dimethoxyphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42647584
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
N-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyphenyl)propanamide
CID 110399723

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide (CID 154757557) is 3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide is COc1cccc(CCC(=O)NC2CCC(=O)NC2C)c1F.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide?
The InChIKey is XGFCNIXLSCIYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-10-12(7-9-14(20)18-10)19-15(21)8-6-11-4-3-5-13(22-2)16(11)17/h3-5,10,12H,6-9H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide?
3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide has a molecular weight of 308.35 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)-N-(2-methyl-6-oxopiperidin-3-yl)propanamide is sourced from PubChem (CID 154757557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).