1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one

C15H18Cl2N2O3 — CID 108533555

IUPAC1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H18Cl2N2O3/c1-22-9-4-14(20)18-5-7-19(8-6-18)15(21)11-2-3-12(16)13(17)10-11/h2-3,10H,4-9H2,1H3
InChIKeyZIBCHOSOPKLVAF-UHFFFAOYSA-N
MW345.23 g/mol
LogP2.31
Rot. Bonds4

About 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one

1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 108533555) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
PubChem CID108533555
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC Name1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C15H18Cl2N2O3/c1-22-9-4-14(20)18-5-7-19(8-6-18)15(21)11-2-3-12(16)13(17)10-11/h2-3,10H,4-9H2,1H3
InChIKeyZIBCHOSOPKLVAF-UHFFFAOYSA-N
XLogP2.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chloro-3-methylbenzoyl)-1,4-diazepan-1-yl]-3-methoxypropan-1-one
CID 135088684
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533747
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 78783392
1-[4-(3-bromo-4-chlorobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 103841681
tert-butyl N-[3-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3-oxopropyl]carbamate
CID 108543189
2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404012
5-[4-(3-methoxypropanoyl)piperazine-1-carbonyl]-2-(3-methoxypropyl)isoindole-1,3-dione
CID 108535080
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
(3,4-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939011
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-ethylphenoxy)ethanone
CID 108533558
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one (CID 108533555) is 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is ZIBCHOSOPKLVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-22-9-4-14(20)18-5-7-19(8-6-18)15(21)11-2-3-12(16)13(17)10-11/h2-3,10H,4-9H2,1H3.
What are the key properties of 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one?
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 345.23 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 108533555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).