[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone

C19H19Cl2N3O2S — CID 90511220

IUPAC[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CC(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C1
InChIInChI=1S/C19H19Cl2N3O2S/c20-14-3-1-4-15(17(14)21)22-6-8-23(9-7-22)18(25)13-11-24(12-13)19(26)16-5-2-10-27-16/h1-5,10,13H,6-9,11-12H2
InChIKeyQEZKKFCYIVQTDI-UHFFFAOYSA-N
MW424.35 g/mol
LogP3.48
Rot. Bonds3

About [4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone

[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone (PubChem CID 90511220) has the molecular formula C19H19Cl2N3O2S and a molecular weight of 424.35 g/mol. Its IUPAC name is [4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
PubChem CID90511220
Molecular FormulaC19H19Cl2N3O2S
Molecular Weight424.35 g/mol
Exact Mass423.06
IUPAC Name[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
SMILESO=C(c1cccs1)N1CC(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C1
InChIInChI=1S/C19H19Cl2N3O2S/c20-14-3-1-4-15(17(14)21)22-6-8-23(9-7-22)18(25)13-11-24(12-13)19(26)16-5-2-10-27-16/h1-5,10,13H,6-9,11-12H2
InChIKeyQEZKKFCYIVQTDI-UHFFFAOYSA-N
XLogP3.48
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone with MolForge

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Related Compounds

[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
piperidin-1-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510983
(4-phenylpiperazin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90510999
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 43053394
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-(thiophene-2-carbonyl)piperidin-3-yl]methanone
CID 25348569
(2,3-dichlorophenyl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 18115100
3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
CID 90511006
[4-(1H-indol-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 2802635
[4-(2-methylphenyl)piperazin-1-yl]-[4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidin-3-yl]methanone
CID 42680513
[4-(3-methylphenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25398339
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27261466

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
The IUPAC name of [4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone (CID 90511220) is [4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone.
What is the SMILES notation for [4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
The canonical SMILES for [4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone is O=C(c1cccs1)N1CC(C(=O)N2CCN(c3cccc(Cl)c3Cl)CC2)C1.
What is the InChIKey of [4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
The InChIKey is QEZKKFCYIVQTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2S/c20-14-3-1-4-15(17(14)21)22-6-8-23(9-7-22)18(25)13-11-24(12-13)19(26)16-5-2-10-27-16/h1-5,10,13H,6-9,11-12H2.
What are the key properties of [4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?
[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone has a molecular weight of 424.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone is sourced from PubChem (CID 90511220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).