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

C13H14Cl2N2O2 — CID 78783392

IUPAC1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H14Cl2N2O2/c1-9(18)16-4-6-17(7-5-16)13(19)10-2-3-11(14)12(15)8-10/h2-3,8H,4-7H2,1H3
InChIKeyMTPMDDSNMFUKKK-UHFFFAOYSA-N
MW301.17 g/mol
LogP2.30
Rot. Bonds1

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

1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone (PubChem CID 78783392) has the molecular formula C13H14Cl2N2O2 and a molecular weight of 301.17 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
PubChem CID78783392
Molecular FormulaC13H14Cl2N2O2
Molecular Weight301.17 g/mol
Exact Mass300.04
IUPAC Name1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C13H14Cl2N2O2/c1-9(18)16-4-6-17(7-5-16)13(19)10-2-3-11(14)12(15)8-10/h2-3,8H,4-7H2,1H3
InChIKeyMTPMDDSNMFUKKK-UHFFFAOYSA-N
XLogP2.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 36505256
(3,4-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6939011
(3,4-dichlorophenyl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 39565886
(3,4-dichlorophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 17163669
[4-(2-chlorobenzoyl)piperazin-1-yl]-(3,4-dichlorophenyl)methanone
CID 39711919
(3,4-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400113
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064
(3,4-dichlorophenyl)-[4-(3,4,5-trihydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543920
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 108533555

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone (CID 78783392) is 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone?
The InChIKey is MTPMDDSNMFUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O2/c1-9(18)16-4-6-17(7-5-16)13(19)10-2-3-11(14)12(15)8-10/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone?
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone has a molecular weight of 301.17 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 78783392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).