2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide

C20H27N3O2 — CID 16800787

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C20H27N3O2/c1-14-8-5-6-12-23(14)13-7-11-21-20(25)19(24)18-15(2)22-17-10-4-3-9-16(17)18/h3-4,9-10,14,22H,5-8,11-13H2,1-2H3,(H,21,25)
InChIKeyXCZDAVNKJFSTDQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.04
Rot. Bonds6

About 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide

2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide (PubChem CID 16800787) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide
PubChem CID16800787
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide
SMILESCc1[nH]c2ccccc2c1C(=O)C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C20H27N3O2/c1-14-8-5-6-12-23(14)13-7-11-21-20(25)19(24)18-15(2)22-17-10-4-3-9-16(17)18/h3-4,9-10,14,22H,5-8,11-13H2,1-2H3,(H,21,25)
InChIKeyXCZDAVNKJFSTDQ-UHFFFAOYSA-N
XLogP3.04
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51949127
2-(2-methyl-1H-indol-3-yl)-N-[(1-methylpiperidin-4-yl)methyl]-2-oxoacetamide
CID 47093388
1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 55770071
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-but-3-ynyl-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 90537914
N-[3-(4-ethylpiperazine-1,4-diium-1-yl)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 7117693
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)acetamide
CID 90556340
(Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide
CID 9472917
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
2-(2-methyl-1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
CID 5296029
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide (CID 16800787) is 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide is Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCN1CCCCC1C.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide?
The InChIKey is XCZDAVNKJFSTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-8-5-6-12-23(14)13-7-11-21-20(25)19(24)18-15(2)22-17-10-4-3-9-16(17)18/h3-4,9-10,14,22H,5-8,11-13H2,1-2H3,(H,21,25).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide?
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide has a molecular weight of 341.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-oxoacetamide is sourced from PubChem (CID 16800787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).