1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone

C21H22FNO3 — CID 126438840

IUPAC1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone
SMILESCO[C@H]1CCCN(C(=O)c2cccc(-c3cc(F)ccc3C(C)=O)c2)C1
InChIInChI=1S/C21H22FNO3/c1-14(24)19-9-8-17(22)12-20(19)15-5-3-6-16(11-15)21(25)23-10-4-7-18(13-23)26-2/h3,5-6,8-9,11-12,18H,4,7,10,13H2,1-2H3/t18-/m0/s1
InChIKeyMIYVXNFVOVBJQZ-SFHVURJKSA-N
MW355.41 g/mol
LogP3.95
Rot. Bonds4

About 1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone

1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone (PubChem CID 126438840) has the molecular formula C21H22FNO3 and a molecular weight of 355.41 g/mol. Its IUPAC name is 1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone
PubChem CID126438840
Molecular FormulaC21H22FNO3
Molecular Weight355.41 g/mol
Exact Mass355.16
IUPAC Name1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone
SMILESCO[C@H]1CCCN(C(=O)c2cccc(-c3cc(F)ccc3C(C)=O)c2)C1
InChIInChI=1S/C21H22FNO3/c1-14(24)19-9-8-17(22)12-20(19)15-5-3-6-16(11-15)21(25)23-10-4-7-18(13-23)26-2/h3,5-6,8-9,11-12,18H,4,7,10,13H2,1-2H3/t18-/m0/s1
InChIKeyMIYVXNFVOVBJQZ-SFHVURJKSA-N
XLogP3.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-methoxypiperidin-1-yl]-[3-[3-(trifluoromethyl)phenyl]phenyl]methanone
CID 125165088
(3-methoxypiperidin-1-yl)-(3-methylphenyl)methanone
CID 122545527
3-[3-(3-methoxypiperidine-1-carbonyl)phenyl]chromen-2-one
CID 171389799
[(3R)-3-methoxypiperidin-1-yl]-[3-[4-(5-methylpyrimidin-2-yl)phenyl]phenyl]methanone
CID 126440210
1-[2-[3-(3-aminopiperidine-1-carbonyl)phenyl]phenyl]ethanone
CID 119062026
methyl N-[3-(3-methoxypiperidine-1-carbonyl)phenyl]carbamate
CID 75369442
(3-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 103644623
(3-fluorophenyl)-(3-phenoxypiperidin-1-yl)methanone
CID 110605378
(2-bromo-6-fluorophenyl)-(3-methoxypiperidin-1-yl)methanone
CID 103733511
(3-methoxypiperidin-1-yl)-[4-(2-methylsulfanylphenyl)phenyl]methanone
CID 119064304
2-fluoro-5-(3-methoxypiperidine-1-carbonyl)benzenesulfonyl chloride
CID 102970898
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198

Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone (CID 126438840) is 1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone is CO[C@H]1CCCN(C(=O)c2cccc(-c3cc(F)ccc3C(C)=O)c2)C1.
What is the InChIKey of 1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone?
The InChIKey is MIYVXNFVOVBJQZ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22FNO3/c1-14(24)19-9-8-17(22)12-20(19)15-5-3-6-16(11-15)21(25)23-10-4-7-18(13-23)26-2/h3,5-6,8-9,11-12,18H,4,7,10,13H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone?
1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone has a molecular weight of 355.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-2-[3-[(3S)-3-methoxypiperidine-1-carbonyl]phenyl]phenyl]ethanone is sourced from PubChem (CID 126438840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).