N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide

C17H21N3O3 — CID 168786731

IUPACN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide
SMILESCC1(C(=O)NCCc2c[nH]c3ccc(O)cc23)CCCNC1=O
InChIInChI=1S/C17H21N3O3/c1-17(6-2-7-18-15(17)22)16(23)19-8-5-11-10-20-14-4-3-12(21)9-13(11)14/h3-4,9-10,20-21H,2,5-8H2,1H3,(H,18,22)(H,19,23)
InChIKeyNFPATAFMVWTJRJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.45
Rot. Bonds4

About N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide

N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide (PubChem CID 168786731) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide
PubChem CID168786731
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide
SMILESCC1(C(=O)NCCc2c[nH]c3ccc(O)cc23)CCCNC1=O
InChIInChI=1S/C17H21N3O3/c1-17(6-2-7-18-15(17)22)16(23)19-8-5-11-10-20-14-4-3-12(21)9-13(11)14/h3-4,9-10,20-21H,2,5-8H2,1H3,(H,18,22)(H,19,23)
InChIKeyNFPATAFMVWTJRJ-UHFFFAOYSA-N
XLogP1.45
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-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

2-amino-N-[2-[[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 3344323
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-2,2,4-trimethylpentanamide
CID 143884091
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 39058421
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-methylpiperidine-3-carboxamide
CID 172894946
3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride
CID 158992514
3-propyl-1H-indol-5-ol
CID 15366338
1-amino-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119263383
2-fluoro-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 168786739
(4E,7E,10E,13E,16E,19E)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 171042317
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-phenyloxane-4-carboxamide
CID 71692234

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide (CID 168786731) is N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide is CC1(C(=O)NCCc2c[nH]c3ccc(O)cc23)CCCNC1=O.
What is the InChIKey of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide?
The InChIKey is NFPATAFMVWTJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-17(6-2-7-18-15(17)22)16(23)19-8-5-11-10-20-14-4-3-12(21)9-13(11)14/h3-4,9-10,20-21H,2,5-8H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide?
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 168786731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).