[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone

C19H17Cl2NO2 — CID 87042975

IUPAC[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H17Cl2NO2/c20-15-7-5-13(6-8-15)18(23)14-9-11-22(12-10-14)19(24)16-3-1-2-4-17(16)21/h1-8,14H,9-12H2
InChIKeySKZQMBUCZRTDJU-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.73
Rot. Bonds3

About [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone

[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone (PubChem CID 87042975) has the molecular formula C19H17Cl2NO2 and a molecular weight of 362.26 g/mol. Its IUPAC name is [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
PubChem CID87042975
Molecular FormulaC19H17Cl2NO2
Molecular Weight362.26 g/mol
Exact Mass361.06
IUPAC Name[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H17Cl2NO2/c20-15-7-5-13(6-8-15)18(23)14-9-11-22(12-10-14)19(24)16-3-1-2-4-17(16)21/h1-8,14H,9-12H2
InChIKeySKZQMBUCZRTDJU-UHFFFAOYSA-N
XLogP4.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-phenylmethanone
CID 17449620
(4-chlorophenyl)-[1-(3-hydroxy-2-iodobenzoyl)piperidin-4-yl]methanone
CID 155555471
[1-(2-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155533081
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-(4-hydroxyphenyl)methanone
CID 24615468
[1-(2-chlorobenzoyl)pyrrolidin-3-yl]-(4-fluorophenyl)methanone
CID 11174940
[1-(4-chloro-3-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155535689
(4-chlorophenyl)-[1-(2,2-dimethyl-3H-1-benzofuran-7-carbonyl)piperidin-4-yl]methanone
CID 2738416
[1-(3-chloro-5-hydroxybenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 155515611
2-[4-(3-chlorobenzoyl)piperidine-1-carbonyl]benzoate
CID 6983797
(4-chlorophenyl)-[1-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]methanone
CID 75405119

Frequently Asked Questions

What is the IUPAC name of [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone (CID 87042975) is [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone is O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The InChIKey is SKZQMBUCZRTDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO2/c20-15-7-5-13(6-8-15)18(23)14-9-11-22(12-10-14)19(24)16-3-1-2-4-17(16)21/h1-8,14H,9-12H2.
What are the key properties of [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone has a molecular weight of 362.26 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 87042975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).