1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione

C24H25Cl2N3O4 — CID 139958738

IUPAC1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione
SMILESO=C1OC2(Cc3ccccc3N2CCCCN2CCN(c3cccc(Cl)c3Cl)CC2)OC1=O
InChIInChI=1S/C24H25Cl2N3O4/c25-18-7-5-9-20(21(18)26)28-14-12-27(13-15-28)10-3-4-11-29-19-8-2-1-6-17(19)16-24(29)32-22(30)23(31)33-24/h1-2,5-9H,3-4,10-16H2
InChIKeyHHUILLJUWSIJLV-UHFFFAOYSA-N
MW490.39 g/mol
LogP3.71
Rot. Bonds6

About 1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione

1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione (PubChem CID 139958738) has the molecular formula C24H25Cl2N3O4 and a molecular weight of 490.39 g/mol. Its IUPAC name is 1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione.

Molecular Properties

Compound Name1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione
PubChem CID139958738
Molecular FormulaC24H25Cl2N3O4
Molecular Weight490.39 g/mol
Exact Mass489.12
IUPAC Name1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione
SMILESO=C1OC2(Cc3ccccc3N2CCCCN2CCN(c3cccc(Cl)c3Cl)CC2)OC1=O
InChIInChI=1S/C24H25Cl2N3O4/c25-18-7-5-9-20(21(18)26)28-14-12-27(13-15-28)10-3-4-11-29-19-8-2-1-6-17(19)16-24(29)32-22(30)23(31)33-24/h1-2,5-9H,3-4,10-16H2
InChIKeyHHUILLJUWSIJLV-UHFFFAOYSA-N
XLogP3.71
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 22029331
2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one
CID 123755399
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 16752492
4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 141080679
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-5H-4,1-benzoxazepin-2-one
CID 169212751
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
CID 69239250
5-[4-(2,3-dichlorophenyl)piperazin-1-yl]-N-quinolin-2-ylpentanamide
CID 162787951
1-(2,3-dichlorophenyl)-4-(4-piperidin-4-yloxybutyl)piperazine
CID 146025635
7-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 171647773

Frequently Asked Questions

What is the IUPAC name of 1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione?
The IUPAC name of 1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione (CID 139958738) is 1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione.
What is the SMILES notation for 1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione?
The canonical SMILES for 1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione is O=C1OC2(Cc3ccccc3N2CCCCN2CCN(c3cccc(Cl)c3Cl)CC2)OC1=O.
What is the InChIKey of 1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione?
The InChIKey is HHUILLJUWSIJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O4/c25-18-7-5-9-20(21(18)26)28-14-12-27(13-15-28)10-3-4-11-29-19-8-2-1-6-17(19)16-24(29)32-22(30)23(31)33-24/h1-2,5-9H,3-4,10-16H2.
What are the key properties of 1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione?
1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione has a molecular weight of 490.39 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]spiro[1,3-dioxolane-2,2'-3H-indole]-4,5-dione is sourced from PubChem (CID 139958738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).