2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide

C17H25N3O2 — CID 59376033

IUPAC2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCCN1CCCCC1)CCCC2=O
InChIInChI=1S/C17H25N3O2/c1-12-15(13-6-5-7-14(21)16(13)19-12)17(22)18-8-11-20-9-3-2-4-10-20/h19H,2-11H2,1H3,(H,18,22)
InChIKeyJRXUSMPDJSJZPB-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.06
Rot. Bonds4

About 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide

2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide (PubChem CID 59376033) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide
PubChem CID59376033
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide
SMILESCc1[nH]c2c(c1C(=O)NCCN1CCCCC1)CCCC2=O
InChIInChI=1S/C17H25N3O2/c1-12-15(13-6-5-7-14(21)16(13)19-12)17(22)18-8-11-20-9-3-2-4-10-20/h19H,2-11H2,1H3,(H,18,22)
InChIKeyJRXUSMPDJSJZPB-UHFFFAOYSA-N
XLogP2.06
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-methyl-7-oxo-1,4,5,6-tetrahydroindole-3-carboxamide
CID 143687092
3,4-dimethyl-N-(2-piperidin-1-ylethyl)benzamide
CID 25237097
N-[(2,6-difluorophenyl)methyl]-2-methyl-6-oxo-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxamide
CID 21051548
6-methyl-N-(2-piperidin-1-ylethyl)cyclohexa-1,5-diene-1-carboxamide
CID 173159505
2-methyl-N-(2-piperidin-1-ylethyl)-1H-imidazole-5-carboxamide
CID 138993912
3-bromo-4-methyl-N-(2-piperidin-1-ylethyl)benzamide
CID 79467099
4-methyl-N-(2-piperazin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 119448829
3-[[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]oxymethyl]-2-methyl-1,4,5,6-tetrahydroindol-7-one
CID 89060511
(7Z)-2-methyl-7-(5-methyl-2-oxo-1H-indol-3-ylidene)-N-(3-morpholin-4-ylpropyl)-1,4,5,6-tetrahydroindole-3-carboxamide
CID 59376071
7-(7-fluoro-2-hydroxy-1H-indol-3-yl)-2-methyl-N-(3-pyrrolidin-1-ylpropyl)-4,5-dihydro-1H-indole-3-carboxamide
CID 90745909
3-[[3,5-dimethyl-4-(2-pyrrolidin-1-ylethylcarbamoyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indole-5-carboxylic acid
CID 123450026
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
The IUPAC name of 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide (CID 59376033) is 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide.
What is the SMILES notation for 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
The canonical SMILES for 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide is Cc1[nH]c2c(c1C(=O)NCCN1CCCCC1)CCCC2=O.
What is the InChIKey of 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
The InChIKey is JRXUSMPDJSJZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-15(13-6-5-7-14(21)16(13)19-12)17(22)18-8-11-20-9-3-2-4-10-20/h19H,2-11H2,1H3,(H,18,22).
What are the key properties of 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide?
2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-N-(2-piperidin-1-ylethyl)-1,4,5,6-tetrahydroindole-3-carboxamide is sourced from PubChem (CID 59376033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).