[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone

C18H16Cl2N2O2 — CID 78771391

IUPAC[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-7-4-8-15(20)16(14)18(24)22-11-9-21(10-12-22)17(23)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyFHCBYUDSAADAIE-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.59
Rot. Bonds2

About [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone

[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone (PubChem CID 78771391) has the molecular formula C18H16Cl2N2O2 and a molecular weight of 363.24 g/mol. Its IUPAC name is [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
PubChem CID78771391
Molecular FormulaC18H16Cl2N2O2
Molecular Weight363.24 g/mol
Exact Mass362.06
IUPAC Name[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H16Cl2N2O2/c19-14-7-4-8-15(20)16(14)18(24)22-11-9-21(10-12-22)17(23)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyFHCBYUDSAADAIE-UHFFFAOYSA-N
XLogP3.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
4-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 2050566
(2,6-dichlorophenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403001
3-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119300363
[4-(2-chloro-6-fluorobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 108537079
(2,6-dichlorophenyl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 6943179
[4-(2-chlorobenzoyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 46550522
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
(2,6-dichlorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100045
(4-aminopiperazin-1-yl)-phenylmethanone
CID 12554633
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone (CID 78771391) is [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is FHCBYUDSAADAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2/c19-14-7-4-8-15(20)16(14)18(24)22-11-9-21(10-12-22)17(23)13-5-2-1-3-6-13/h1-8H,9-12H2.
What are the key properties of [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone?
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 363.24 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 78771391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).