1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione

C22H27N3O4 — CID 4067931

IUPAC1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione
SMILESCC1CCCCN1C(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C22H27N3O4/c1-16-6-4-5-9-25(16)22(28)21(27)18-14-24(19-8-3-2-7-17(18)19)15-20(26)23-10-12-29-13-11-23/h2-3,7-8,14,16H,4-6,9-13,15H2,1H3
InChIKeyRXWWYOCSPSRYLI-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.08
Rot. Bonds4

About 1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione

1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione (PubChem CID 4067931) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione
PubChem CID4067931
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione
SMILESCC1CCCCN1C(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12
InChIInChI=1S/C22H27N3O4/c1-16-6-4-5-9-25(16)22(28)21(27)18-14-24(19-8-3-2-7-17(18)19)15-20(26)23-10-12-29-13-11-23/h2-3,7-8,14,16H,4-6,9-13,15H2,1H3
InChIKeyRXWWYOCSPSRYLI-UHFFFAOYSA-N
XLogP2.08
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione with MolForge

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Related Compounds

1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
CID 18562371
N-[(1R,2R)-2-methylcyclohexyl]-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 7162355
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione
CID 4075467
N-(4-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 18562361
2-[3-(cyclohexanecarbonyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
CID 654893
N-cyclopentyl-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]sulfanylacetamide
CID 20902534
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-(4-phenylbutan-2-yl)acetamide
CID 4278110
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]acetamide
CID 41106127
1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]indol-3-yl]-2-morpholin-4-ylethane-1,2-dione
CID 2228747
N-(2,2-dimethoxyethyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 40506618
2-oxo-N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 16808099

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione (CID 4067931) is 1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione is CC1CCCCN1C(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione?
The InChIKey is RXWWYOCSPSRYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-16-6-4-5-9-25(16)22(28)21(27)18-14-24(19-8-3-2-7-17(18)19)15-20(26)23-10-12-29-13-11-23/h2-3,7-8,14,16H,4-6,9-13,15H2,1H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione?
1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione has a molecular weight of 397.48 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]ethane-1,2-dione is sourced from PubChem (CID 4067931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).