N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide

C16H19N3O2 — CID 5020167

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O2/c20-15-13(5-3-8-17-15)16(21)18-9-7-11-10-19-14-6-2-1-4-12(11)14/h1-2,4,6,10,13,19H,3,5,7-9H2,(H,17,20)(H,18,21)
InChIKeyFKXAJNOFYUIVAW-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.35
Rot. Bonds4

About N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide (PubChem CID 5020167) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide
PubChem CID5020167
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O2/c20-15-13(5-3-8-17-15)16(21)18-9-7-11-10-19-14-6-2-1-4-12(11)14/h1-2,4,6,10,13,19H,3,5,7-9H2,(H,17,20)(H,18,21)
InChIKeyFKXAJNOFYUIVAW-UHFFFAOYSA-N
XLogP1.35
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dibenzyl [3-[2-[(2-oxopiperidine-3-carbonyl)amino]ethyl]-1H-indol-5-yl] phosphate
CID 170173353
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[2-(1H-indol-3-yl)ethyl]thiane-2-carboxamide
CID 110853397
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
N-[3-(1H-indol-3-yl)propyl]pyrrolidine-2-carboxamide
CID 119320797
N-[2-(1H-indol-3-yl)ethyl]oxane-3-carboxamide
CID 110853395
1-N-cyclopentyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132031
2-[2-(1H-indol-3-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791887
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623
(1S,11R,13R)-N-[2-(1H-indol-3-yl)ethyl]-2-(2-methylpropanoyl)-10-oxo-2,9-diazabicyclo[9.3.0]tetradecane-13-carboxamide
CID 110199223
1-N-[2-(1H-indol-3-yl)ethyl]-2-N-(2-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109137338
1-N-benzyl-2-N-[2-(1H-indol-3-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109134996

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide (CID 5020167) is N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide is O=C1NCCCC1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide?
The InChIKey is FKXAJNOFYUIVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15-13(5-3-8-17-15)16(21)18-9-7-11-10-19-14-6-2-1-4-12(11)14/h1-2,4,6,10,13,19H,3,5,7-9H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 5020167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).