1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione

C23H29N3O3 — CID 18562371

IUPAC1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
SMILESCC1CCCCN1C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C23H29N3O3/c1-17-9-5-8-14-26(17)23(29)22(28)19-15-25(20-11-4-3-10-18(19)20)16-21(27)24-12-6-2-7-13-24/h3-4,10-11,15,17H,2,5-9,12-14,16H2,1H3
InChIKeyVSIYWBMBOXUBCF-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.24
Rot. Bonds4

About 1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione

1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione (PubChem CID 18562371) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
PubChem CID18562371
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
SMILESCC1CCCCN1C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C23H29N3O3/c1-17-9-5-8-14-26(17)23(29)22(28)19-15-25(20-11-4-3-10-18(19)20)16-21(27)24-12-6-2-7-13-24/h3-4,10-11,15,17H,2,5-9,12-14,16H2,1H3
InChIKeyVSIYWBMBOXUBCF-UHFFFAOYSA-N
XLogP3.24
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione (CID 18562371) is 1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione is CC1CCCCN1C(=O)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione?
The InChIKey is VSIYWBMBOXUBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-9-5-8-14-26(17)23(29)22(28)19-15-25(20-11-4-3-10-18(19)20)16-21(27)24-12-6-2-7-13-24/h3-4,10-11,15,17H,2,5-9,12-14,16H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione?
1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione has a molecular weight of 395.50 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione is sourced from PubChem (CID 18562371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).