[4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

C24H20Cl2N2O5 — CID 42887896

IUPAC[4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C24H20Cl2N2O5/c25-16-5-3-4-15(22(16)26)17-8-9-20(32-17)23(29)27-10-12-28(13-11-27)24(30)21-14-31-18-6-1-2-7-19(18)33-21/h1-9,21H,10-14H2
InChIKeyPRMNFQJHISVELF-UHFFFAOYSA-N
MW487.34 g/mol
LogP4.38
Rot. Bonds3

About [4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

[4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (PubChem CID 42887896) has the molecular formula C24H20Cl2N2O5 and a molecular weight of 487.34 g/mol. Its IUPAC name is [4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

Molecular Properties

Compound Name[4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
PubChem CID42887896
Molecular FormulaC24H20Cl2N2O5
Molecular Weight487.34 g/mol
Exact Mass486.07
IUPAC Name[4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESO=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(C(=O)C2COc3ccccc3O2)CC1
InChIInChI=1S/C24H20Cl2N2O5/c25-16-5-3-4-15(22(16)26)17-8-9-20(32-17)23(29)27-10-12-28(13-11-27)24(30)21-14-31-18-6-1-2-7-19(18)33-21/h1-9,21H,10-14H2
InChIKeyPRMNFQJHISVELF-UHFFFAOYSA-N
XLogP4.38
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.34
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829
[4-[5-(2-chlorophenyl)furan-2-carbonyl]-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 17490081
2-(2,3-dichlorophenoxy)-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone
CID 42986304
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 9368201
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-phenylethanone
CID 166185312
2-(2-chloro-6-fluorophenyl)-1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]ethanone
CID 42907001
cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]methanone
CID 51150235
[4-(4-bromobenzoyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 43010611
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone
CID 41130628
[4-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methanone
CID 31368615
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 755163

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The IUPAC name of [4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (CID 42887896) is [4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.
What is the SMILES notation for [4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The canonical SMILES for [4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCN(C(=O)C2COc3ccccc3O2)CC1.
What is the InChIKey of [4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The InChIKey is PRMNFQJHISVELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2O5/c25-16-5-3-4-15(22(16)26)17-8-9-20(32-17)23(29)27-10-12-28(13-11-27)24(30)21-14-31-18-6-1-2-7-19(18)33-21/h1-9,21H,10-14H2.
What are the key properties of [4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
[4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone has a molecular weight of 487.34 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2,3-dichlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is sourced from PubChem (CID 42887896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).