(4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone

C19H17ClFNO3 — CID 155569023

IUPAC(4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(O)cc(F)c2)CC1
InChIInChI=1S/C19H17ClFNO3/c20-15-3-1-12(2-4-15)18(24)13-5-7-22(8-6-13)19(25)14-9-16(21)11-17(23)10-14/h1-4,9-11,13,23H,5-8H2
InChIKeyOQTFRVYWXATAHR-UHFFFAOYSA-N
MW361.80 g/mol
LogP3.92
Rot. Bonds3

About (4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone

(4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone (PubChem CID 155569023) has the molecular formula C19H17ClFNO3 and a molecular weight of 361.80 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone
PubChem CID155569023
Molecular FormulaC19H17ClFNO3
Molecular Weight361.80 g/mol
Exact Mass361.09
IUPAC Name(4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(O)cc(F)c2)CC1
InChIInChI=1S/C19H17ClFNO3/c20-15-3-1-12(2-4-15)18(24)13-5-7-22(8-6-13)19(25)14-9-16(21)11-17(23)10-14/h1-4,9-11,13,23H,5-8H2
InChIKeyOQTFRVYWXATAHR-UHFFFAOYSA-N
XLogP3.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.80
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155515611
[1-(4-chloro-3-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155535689
[1-(2-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155533081
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163
[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615468
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
[4-(4-fluorophenyl)sulfanylphenyl]-[1-(3-hydroxybenzoyl)piperidin-4-yl]methanone
CID 164615358
(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone
CID 155555471
(4-chlorophenyl)-[1-(piperidine-4-carbonyl)piperidin-4-yl]methanone;(4-chlorophenyl)-piperidin-4-ylmethanone;hydrochloride
CID 160738469
(4-butylphenyl)-[1-(4-fluoro-3-hydroxybenzoyl)piperidin-4-yl]methanone
CID 155531741
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone (CID 155569023) is (4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(O)cc(F)c2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone?
The InChIKey is OQTFRVYWXATAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFNO3/c20-15-3-1-12(2-4-15)18(24)13-5-7-22(8-6-13)19(25)14-9-16(21)11-17(23)10-14/h1-4,9-11,13,23H,5-8H2.
What are the key properties of (4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone has a molecular weight of 361.80 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 155569023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).