[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone

C20H20Cl2N2O3 — CID 55748983

IUPAC[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C20H20Cl2N2O3/c1-2-27-15-8-6-14(7-9-15)19(25)23-10-12-24(13-11-23)20(26)16-4-3-5-17(21)18(16)22/h3-9H,2,10-13H2,1H3
InChIKeyARPKQNUUGHHWOQ-UHFFFAOYSA-N
MW407.30 g/mol
LogP3.99
Rot. Bonds4

About [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone

[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 55748983) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID55748983
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC Name[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1
InChIInChI=1S/C20H20Cl2N2O3/c1-2-27-15-8-6-14(7-9-15)19(25)23-10-12-24(13-11-23)20(26)16-4-3-5-17(21)18(16)22/h3-9H,2,10-13H2,1H3
InChIKeyARPKQNUUGHHWOQ-UHFFFAOYSA-N
XLogP3.99
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[4-(2-amino-6-chlorophenyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 50880133
[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-(4-ethoxyphenyl)methanone
CID 108545969
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55586250
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
[4-(4-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 7539538
(3-bromophenyl)-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
CID 55748861
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 172888753
(4-ethoxyphenyl)-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 9496560
N-[3-[4-(4-ethoxybenzoyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 108545962
[4-(2-bromoethyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone
CID 80661218
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone (CID 55748983) is [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)cc1.
What is the InChIKey of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is ARPKQNUUGHHWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c1-2-27-15-8-6-14(7-9-15)19(25)23-10-12-24(13-11-23)20(26)16-4-3-5-17(21)18(16)22/h3-9H,2,10-13H2,1H3.
What are the key properties of [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone?
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 407.30 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorobenzoyl)piperazin-1-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 55748983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).