8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione

C21H27N3O4 — CID 58509565

IUPAC8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione
SMILESO=C(CO)CCCCCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H27N3O4/c25-15-16(26)6-2-1-3-9-20(27)23-10-12-24(13-11-23)21(28)18-14-22-19-8-5-4-7-17(18)19/h4-5,7-8,14,22,25H,1-3,6,9-13,15H2
InChIKeyRXIZTYXIVDMSBI-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.96
Rot. Bonds8

About 8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione

8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione (PubChem CID 58509565) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione.

Molecular Properties

Compound Name8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione
PubChem CID58509565
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione
SMILESO=C(CO)CCCCCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C21H27N3O4/c25-15-16(26)6-2-1-3-9-20(27)23-10-12-24(13-11-23)21(28)18-14-22-19-8-5-4-7-17(18)19/h4-5,7-8,14,22,25H,1-3,6,9-13,15H2
InChIKeyRXIZTYXIVDMSBI-UHFFFAOYSA-N
XLogP1.96
TPSA93.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione with MolForge

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Related Compounds

5-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-5-oxopentanoic acid
CID 29132484
1-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 49206011
1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803979
1H-indol-3-yl(morpholin-4-yl)methanone
CID 1481812
1H-indol-3-yl-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 86188477
cyclopentyl-[4-(1H-indole-3-carbonyl)piperazin-1-yl]methanone
CID 110801628
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42534114
(4,4-dimethylazepan-1-yl)-(1H-indol-3-yl)methanone
CID 65281682
cyclopropyl-[4-(1H-indole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 49206253
1H-indol-3-yl-(4-propylsulfonylpiperazin-1-yl)methanone
CID 110804849
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888926

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione?
The IUPAC name of 8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione (CID 58509565) is 8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione.
What is the SMILES notation for 8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione?
The canonical SMILES for 8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione is O=C(CO)CCCCCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione?
The InChIKey is RXIZTYXIVDMSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-15-16(26)6-2-1-3-9-20(27)23-10-12-24(13-11-23)21(28)18-14-22-19-8-5-4-7-17(18)19/h4-5,7-8,14,22,25H,1-3,6,9-13,15H2.
What are the key properties of 8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione?
8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione has a molecular weight of 385.46 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-[4-(1H-indole-3-carbonyl)piperazin-1-yl]octane-1,7-dione is sourced from PubChem (CID 58509565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).