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

C19H17Cl2NO3 — CID 155515611

IUPAC[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(O)cc(Cl)c2)CC1
InChIInChI=1S/C19H17Cl2NO3/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
InChIKeyNFMNBTDJGVWTTK-UHFFFAOYSA-N
MW378.25 g/mol
LogP4.43
Rot. Bonds3

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

[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone (PubChem CID 155515611) has the molecular formula C19H17Cl2NO3 and a molecular weight of 378.25 g/mol. Its IUPAC name is [1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
PubChem CID155515611
Molecular FormulaC19H17Cl2NO3
Molecular Weight378.25 g/mol
Exact Mass377.06
IUPAC Name[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(O)cc(Cl)c2)CC1
InChIInChI=1S/C19H17Cl2NO3/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
InChIKeyNFMNBTDJGVWTTK-UHFFFAOYSA-N
XLogP4.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[1-(3-fluoro-5-hydroxybenzoyl)piperidin-4-yl]methanone
CID 155569023
[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-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615468
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
(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
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
N-[[4-[4-(4-chlorobenzoyl)piperidine-1-carbonyl]phenyl]methyl]methanesulfonamide
CID 71251914
(3-bromo-5-chlorophenyl)-(4-chloropiperidin-1-yl)methanone
CID 107940961
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone (CID 155515611) is [1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2cc(O)cc(Cl)c2)CC1.
What is the InChIKey of [1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The InChIKey is NFMNBTDJGVWTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO3/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 [1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone has a molecular weight of 378.25 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 155515611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).