1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone

C19H16Cl2N2O4 — CID 55858815

IUPAC1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)c2cccc3c2OCO3)CC1
InChIInChI=1S/C19H16Cl2N2O4/c20-14-5-1-3-12(16(14)21)18(24)22-7-9-23(10-8-22)19(25)13-4-2-6-15-17(13)27-11-26-15/h1-6H,7-11H2
InChIKeyHSCAYZJVVSBTPC-UHFFFAOYSA-N
MW407.25 g/mol
LogP3.32
Rot. Bonds2

About 1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone

1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone (PubChem CID 55858815) has the molecular formula C19H16Cl2N2O4 and a molecular weight of 407.25 g/mol. Its IUPAC name is 1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
PubChem CID55858815
Molecular FormulaC19H16Cl2N2O4
Molecular Weight407.25 g/mol
Exact Mass406.05
IUPAC Name1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)c2cccc3c2OCO3)CC1
InChIInChI=1S/C19H16Cl2N2O4/c20-14-5-1-3-12(16(14)21)18(24)22-7-9-23(10-8-22)19(25)13-4-2-6-15-17(13)27-11-26-15/h1-6H,7-11H2
InChIKeyHSCAYZJVVSBTPC-UHFFFAOYSA-N
XLogP3.32
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.25
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzodioxol-4-yl-(4-methylpiperazin-1-yl)methanone
CID 110699409
1,3-benzodioxol-4-yl-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 55837113
2-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 55820715
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55836982
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 167971537
5-[4-(1,3-benzodioxole-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 55837251
1,3-benzodioxol-4-yl-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55817272
1,3-benzodioxol-4-yl-[(4R)-4-methylazepan-1-yl]methanone
CID 95021274
1,3-benzodioxol-4-yl-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 55819181
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(2,3-dichlorophenyl)methanone
CID 19294950
1,3-benzodioxol-4-yl-[(2S)-2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methanone
CID 99823003

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone (CID 55858815) is 1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)c2cccc3c2OCO3)CC1.
What is the InChIKey of 1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is HSCAYZJVVSBTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O4/c20-14-5-1-3-12(16(14)21)18(24)22-7-9-23(10-8-22)19(25)13-4-2-6-15-17(13)27-11-26-15/h1-6H,7-11H2.
What are the key properties of 1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone?
1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 407.25 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-4-yl-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55858815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).