2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone

C15H20Cl2N2O2 — CID 110769554

IUPAC2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2cc(Cl)c(OC)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-3-18-4-6-19(7-5-18)15(20)9-11-8-13(17)14(21-2)10-12(11)16/h8,10H,3-7,9H2,1-2H3
InChIKeyUZEBZPZNCCXMQJ-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.71
Rot. Bonds4

About 2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone

2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone (PubChem CID 110769554) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
PubChem CID110769554
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
SMILESCCN1CCN(C(=O)Cc2cc(Cl)c(OC)cc2Cl)CC1
InChIInChI=1S/C15H20Cl2N2O2/c1-3-18-4-6-19(7-5-18)15(20)9-11-8-13(17)14(21-2)10-12(11)16/h8,10H,3-7,9H2,1-2H3
InChIKeyUZEBZPZNCCXMQJ-UHFFFAOYSA-N
XLogP2.71
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-(2,5-dichloro-4-methoxyphenyl)ethanone
CID 110805650
2-(2,4-dimethoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 51072972
2-(5-bromo-2-chlorophenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 166638870
(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 95970558
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
2-(5-chloro-4-methoxy-2-methylphenyl)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone
CID 110800542
1-(4-acetylpiperazin-1-yl)-2-(5-chloro-2-methoxy-4-methylphenyl)ethanone
CID 110768671
3-chloro-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methoxybenzenesulfonamide
CID 110287226
2-(3-bromo-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 110767784
N-(4-chloro-2,5-dimethoxyphenyl)-1-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974233
3-(3-chloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110408508
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone (CID 110769554) is 2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone is CCN1CCN(C(=O)Cc2cc(Cl)c(OC)cc2Cl)CC1.
What is the InChIKey of 2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
The InChIKey is UZEBZPZNCCXMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-3-18-4-6-19(7-5-18)15(20)9-11-8-13(17)14(21-2)10-12(11)16/h8,10H,3-7,9H2,1-2H3.
What are the key properties of 2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone?
2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone has a molecular weight of 331.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloro-4-methoxyphenyl)-1-(4-ethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110769554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).