[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone

C19H18FNO3 — CID 136517088

IUPAC[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2O)CC1
InChIInChI=1S/C19H18FNO3/c20-15-6-7-16(17(22)12-15)19(24)21-10-8-14(9-11-21)18(23)13-4-2-1-3-5-13/h1-7,12,14,22H,8-11H2
InChIKeySFFDXKWZWIBGNF-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.27
Rot. Bonds3

About [1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone

[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone (PubChem CID 136517088) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is [1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
PubChem CID136517088
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2O)CC1
InChIInChI=1S/C19H18FNO3/c20-15-6-7-16(17(22)12-15)19(24)21-10-8-14(9-11-21)18(23)13-4-2-1-3-5-13/h1-7,12,14,22H,8-11H2
InChIKeySFFDXKWZWIBGNF-UHFFFAOYSA-N
XLogP3.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 38175445
1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide
CID 107014936
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114237427
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
3-[4-(2,5-difluorobenzoyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 75404213
(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830003
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
CID 119699757
[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-phenylmethanone
CID 18143330

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone?
The IUPAC name of [1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone (CID 136517088) is [1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone?
The canonical SMILES for [1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone is O=C(c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2O)CC1.
What is the InChIKey of [1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone?
The InChIKey is SFFDXKWZWIBGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-15-6-7-16(17(22)12-15)19(24)21-10-8-14(9-11-21)18(23)13-4-2-1-3-5-13/h1-7,12,14,22H,8-11H2.
What are the key properties of [1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone?
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone has a molecular weight of 327.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone is sourced from PubChem (CID 136517088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).