5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one

C20H24FNO2 — CID 153215199

IUPAC5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one
SMILESCOc1ccc(F)c([C@@H](C)CC2CC[C@H](c3ccc(=O)[nH]c3)C2)c1
InChIInChI=1S/C20H24FNO2/c1-13(18-11-17(24-2)6-7-19(18)21)9-14-3-4-15(10-14)16-5-8-20(23)22-12-16/h5-8,11-15H,3-4,9-10H2,1-2H3,(H,22,23)/t13-,14?,15-/m0/s1
InChIKeyWMOQVPDVXVDCIQ-LWEDLAQUSA-N
MW329.42 g/mol
LogP4.60
Rot. Bonds5

About 5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one

5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one (PubChem CID 153215199) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one
PubChem CID153215199
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one
SMILESCOc1ccc(F)c([C@@H](C)CC2CC[C@H](c3ccc(=O)[nH]c3)C2)c1
InChIInChI=1S/C20H24FNO2/c1-13(18-11-17(24-2)6-7-19(18)21)9-14-3-4-15(10-14)16-5-8-20(23)22-12-16/h5-8,11-15H,3-4,9-10H2,1-2H3,(H,22,23)/t13-,14?,15-/m0/s1
InChIKeyWMOQVPDVXVDCIQ-LWEDLAQUSA-N
XLogP4.60
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-4-methoxy-2-[(2S)-1-[(3S)-3-(4-methylsulfonylphenyl)cyclopentyl]propan-2-yl]benzene
CID 158069261
5-[(1S)-3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)propyl]cyclopentyl]-1H-pyridin-2-one
CID 147413684
[4-[3-[(2S)-2-(3-methoxyphenyl)propyl]cyclopentyl]phenyl]methanol
CID 153141221
4-[4-[(1S)-3-[(2S)-2-(4-fluoro-2-methoxyphenyl)propyl]cyclopentyl]phenyl]-4-oxobutanenitrile
CID 152872031
2-(1-bromoethyl)-1-fluoro-4-methoxybenzene
CID 130132946
1-[4-[(1R)-3-[(2S)-2-(4-fluoro-2-methoxyphenyl)propyl]cyclopentyl]phenoxy]-3-methylsulfonylpropan-2-one;methane;molecular hydrogen
CID 159537565
1-[4-[(1R,3R)-3-[(2S)-2-(4-fluoro-3-methoxyphenyl)propyl]cyclopentyl]phenyl]-2-[1-(2-hydroxyethyl)piperidin-4-yl]ethanone
CID 147328914
[4-[(1S)-3-[(2S)-2-(4-fluoro-3-methoxyphenyl)propyl]cyclopentyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 159592094
(1S)-1-(2-fluoro-5-methoxyphenyl)ethanamine
CID 55253284
4-[2-[4-[(1R,3R)-3-[(2S)-2-(4-fluoro-3-methoxyphenyl)propyl]cyclopentyl]phenyl]acetyl]piperazin-2-one;formic acid
CID 160600941
(1R)-1-(2-fluoro-5-methoxyphenyl)ethanamine;hydrochloride
CID 126531407
2-methyl-2-[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 161070660

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one?
The IUPAC name of 5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one (CID 153215199) is 5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one is COc1ccc(F)c([C@@H](C)CC2CC[C@H](c3ccc(=O)[nH]c3)C2)c1.
What is the InChIKey of 5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one?
The InChIKey is WMOQVPDVXVDCIQ-LWEDLAQUSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-13(18-11-17(24-2)6-7-19(18)21)9-14-3-4-15(10-14)16-5-8-20(23)22-12-16/h5-8,11-15H,3-4,9-10H2,1-2H3,(H,22,23)/t13-,14?,15-/m0/s1.
What are the key properties of 5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one?
5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one has a molecular weight of 329.42 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-3-[(2S)-2-(2-fluoro-5-methoxyphenyl)propyl]cyclopentyl]-1H-pyridin-2-one is sourced from PubChem (CID 153215199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).