2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane

C21H32Cl2N4O2 — CID 143404012

IUPAC2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
SMILESCC.CCN1CCN(C(=O)CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1
InChIInChI=1S/C19H26Cl2N4O2.C2H6/c1-2-22-5-9-24(10-6-22)18(26)14-23-7-11-25(12-8-23)19(27)15-3-4-16(20)17(21)13-15;1-2/h3-4,13H,2,5-12,14H2,1H3;1-2H3
InChIKeyXTOJSFPVTBAYSY-UHFFFAOYSA-N
MW443.42 g/mol
LogP2.94
Rot. Bonds4

About 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane

2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane (PubChem CID 143404012) has the molecular formula C21H32Cl2N4O2 and a molecular weight of 443.42 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane.

Molecular Properties

Compound Name2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
PubChem CID143404012
Molecular FormulaC21H32Cl2N4O2
Molecular Weight443.42 g/mol
Exact Mass442.19
IUPAC Name2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
SMILESCC.CCN1CCN(C(=O)CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1
InChIInChI=1S/C19H26Cl2N4O2.C2H6/c1-2-22-5-9-24(10-6-22)18(26)14-23-7-11-25(12-8-23)19(27)15-3-4-16(20)17(21)13-15;1-2/h3-4,13H,2,5-12,14H2,1H3;1-2H3
InChIKeyXTOJSFPVTBAYSY-UHFFFAOYSA-N
XLogP2.94
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane with MolForge

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Related Compounds

(3-chloro-4-methoxyphenyl)-(4-ethylpiperazin-1-yl)methanone
CID 95970558
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
N-butyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 35357599
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533555
(3-amino-4-fluorophenyl)-(4-ethylpiperazin-1-yl)methanone
CID 39354170
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
(3,4-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939011
2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255754
(3,4-dichlorophenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 1221734
3,4-dichloro-N-[2-(4-ethylpiperazin-1-yl)-2-methylpropyl]benzamide
CID 112504907
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-ethylphenoxy)ethanone
CID 108533558
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane?
The IUPAC name of 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane (CID 143404012) is 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane.
What is the SMILES notation for 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane?
The canonical SMILES for 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane is CC.CCN1CCN(C(=O)CN2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1.
What is the InChIKey of 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane?
The InChIKey is XTOJSFPVTBAYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N4O2.C2H6/c1-2-22-5-9-24(10-6-22)18(26)14-23-7-11-25(12-8-23)19(27)15-3-4-16(20)17(21)13-15;1-2/h3-4,13H,2,5-12,14H2,1H3;1-2H3.
What are the key properties of 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane?
2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane has a molecular weight of 443.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane is sourced from PubChem (CID 143404012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).