1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone

C22H24FNO3 — CID 25453186

IUPAC1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone
SMILESCOc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cccc(C(C)=O)c2)C1
InChIInChI=1S/C22H24FNO3/c1-15(25)17-6-3-5-16(11-17)13-24-10-4-7-18(14-24)22(26)20-12-19(23)8-9-21(20)27-2/h3,5-6,8-9,11-12,18H,4,7,10,13-14H2,1-2H3/t18-/m0/s1
InChIKeyLWIXABVAWCSUGX-SFHVURJKSA-N
MW369.44 g/mol
LogP4.13
Rot. Bonds6

About 1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone

1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone (PubChem CID 25453186) has the molecular formula C22H24FNO3 and a molecular weight of 369.44 g/mol. Its IUPAC name is 1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone
PubChem CID25453186
Molecular FormulaC22H24FNO3
Molecular Weight369.44 g/mol
Exact Mass369.17
IUPAC Name1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone
SMILESCOc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cccc(C(C)=O)c2)C1
InChIInChI=1S/C22H24FNO3/c1-15(25)17-6-3-5-16(11-17)13-24-10-4-7-18(14-24)22(26)20-12-19(23)8-9-21(20)27-2/h3,5-6,8-9,11-12,18H,4,7,10,13-14H2,1-2H3/t18-/m0/s1
InChIKeyLWIXABVAWCSUGX-SFHVURJKSA-N
XLogP4.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-fluoro-2-methoxyphenyl)-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]methanone
CID 45206328
2-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]benzonitrile
CID 95550185
1-[3-[[(3R)-3-(naphthalene-1-carbonyl)piperidin-1-yl]methyl]phenyl]ethanone
CID 42565190
[(3S)-1-[(3-chlorophenyl)methyl]piperidin-3-yl]-(2,5-difluorophenyl)methanone
CID 42346116
(5-fluoro-2-methoxyphenyl)-[(3R)-1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]methanone
CID 26331855
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845792
(3-chlorophenyl)-[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516135
(3-chlorophenyl)-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42516133
[(3S)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 42453819
(3-fluoro-4-methoxyphenyl)-[(3R)-1-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]piperidin-3-yl]methanone
CID 25376846
(5-fluoro-2-methoxyphenyl)-[(3S)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-3-yl]methanone
CID 42591548

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone (CID 25453186) is 1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone is COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2cccc(C(C)=O)c2)C1.
What is the InChIKey of 1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone?
The InChIKey is LWIXABVAWCSUGX-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24FNO3/c1-15(25)17-6-3-5-16(11-17)13-24-10-4-7-18(14-24)22(26)20-12-19(23)8-9-21(20)27-2/h3,5-6,8-9,11-12,18H,4,7,10,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone?
1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone has a molecular weight of 369.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(3S)-3-(5-fluoro-2-methoxybenzoyl)piperidin-1-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 25453186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).