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

C17H21N3O3 — CID 175862285

IUPAC3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide
SMILESCN1CCCC(CCc2c[nH]c3ccc(O)cc23)(C(N)=O)C1=O
InChIInChI=1S/C17H21N3O3/c1-20-8-2-6-17(15(18)22,16(20)23)7-5-11-10-19-14-4-3-12(21)9-13(11)14/h3-4,9-10,19,21H,2,5-8H2,1H3,(H2,18,22)
InChIKeyJPUNGYRRGVBINY-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.53
Rot. Bonds4

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

3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide (PubChem CID 175862285) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide
PubChem CID175862285
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide
SMILESCN1CCCC(CCc2c[nH]c3ccc(O)cc23)(C(N)=O)C1=O
InChIInChI=1S/C17H21N3O3/c1-20-8-2-6-17(15(18)22,16(20)23)7-5-11-10-19-14-4-3-12(21)9-13(11)14/h3-4,9-10,19,21H,2,5-8H2,1H3,(H2,18,22)
InChIKeyJPUNGYRRGVBINY-UHFFFAOYSA-N
XLogP1.53
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
CID 10848791
3-propyl-1H-indol-5-ol
CID 15366338
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-methyl-2-oxopiperidine-3-carboxamide
CID 168786731
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
3-[4-[3-(3-hydroxyphenyl)piperidin-1-yl]butyl]-1H-indol-5-ol
CID 70044177
8-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 136537122
1-(4-fluorophenyl)-4-(5-hydroxy-1H-indol-3-yl)butan-1-one
CID 157120975
3-(piperazin-1-ylmethyl)-1H-indol-5-ol
CID 117174988
methyl 3-(5-hydroxy-1H-indol-3-yl)-2-methylpropanoate
CID 66819072

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide?
The IUPAC name of 3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide (CID 175862285) is 3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for 3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide?
The canonical SMILES for 3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide is CN1CCCC(CCc2c[nH]c3ccc(O)cc23)(C(N)=O)C1=O.
What is the InChIKey of 3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide?
The InChIKey is JPUNGYRRGVBINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-20-8-2-6-17(15(18)22,16(20)23)7-5-11-10-19-14-4-3-12(21)9-13(11)14/h3-4,9-10,19,21H,2,5-8H2,1H3,(H2,18,22).
What are the key properties of 3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide?
3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 175862285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).