[4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone

C21H20Cl2N2O3 — CID 155267687

IUPAC[4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2Cl)cc1)N1CCN(C(=O)C2CC2O)CC1
InChIInChI=1S/C21H20Cl2N2O3/c22-15-5-6-16(18(23)11-15)13-1-3-14(4-2-13)20(27)24-7-9-25(10-8-24)21(28)17-12-19(17)26/h1-6,11,17,19,26H,7-10,12H2
InChIKeyOHSYDYYGPBJSCZ-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.33
Rot. Bonds3

About [4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone

[4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone (PubChem CID 155267687) has the molecular formula C21H20Cl2N2O3 and a molecular weight of 419.31 g/mol. Its IUPAC name is [4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone.

Molecular Properties

Compound Name[4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone
PubChem CID155267687
Molecular FormulaC21H20Cl2N2O3
Molecular Weight419.31 g/mol
Exact Mass418.09
IUPAC Name[4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone
SMILESO=C(c1ccc(-c2ccc(Cl)cc2Cl)cc1)N1CCN(C(=O)C2CC2O)CC1
InChIInChI=1S/C21H20Cl2N2O3/c22-15-5-6-16(18(23)11-15)13-1-3-14(4-2-13)20(27)24-7-9-25(10-8-24)21(28)17-12-19(17)26/h1-6,11,17,19,26H,7-10,12H2
InChIKeyOHSYDYYGPBJSCZ-UHFFFAOYSA-N
XLogP3.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,4-dichlorophenyl)phenyl]-(3-ethylpiperazin-1-yl)methanone
CID 121497504
[4-(4-chlorobenzoyl)piperazin-1-yl]-[2-(2-chlorophenyl)cyclopropyl]methanone
CID 55550947
[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
[4-(4-chloro-2-fluorophenyl)phenyl]-[4-(1-hydroxycyclobutanecarbonyl)piperazin-1-yl]methanone
CID 118621704
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108536545
[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-cyclopropylmethanone
CID 110797025
[4-(5-chloro-2-fluorophenyl)phenyl]-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone
CID 126434019
[2-(2-chlorophenyl)cyclopropyl]-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55660699
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
(2S,5R)-5-(2-chlorophenyl)-1-[4-(2,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 71225806
[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86272765
1-[4-(5-chloro-2-methoxyphenyl)benzoyl]piperidine-4-carboxamide
CID 119059320

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone?
The IUPAC name of [4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone (CID 155267687) is [4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone.
What is the SMILES notation for [4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone?
The canonical SMILES for [4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone is O=C(c1ccc(-c2ccc(Cl)cc2Cl)cc1)N1CCN(C(=O)C2CC2O)CC1.
What is the InChIKey of [4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone?
The InChIKey is OHSYDYYGPBJSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O3/c22-15-5-6-16(18(23)11-15)13-1-3-14(4-2-13)20(27)24-7-9-25(10-8-24)21(28)17-12-19(17)26/h1-6,11,17,19,26H,7-10,12H2.
What are the key properties of [4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone?
[4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone has a molecular weight of 419.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,4-dichlorophenyl)benzoyl]piperazin-1-yl]-(2-hydroxycyclopropyl)methanone is sourced from PubChem (CID 155267687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).