(2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate

C16H18N2O3 — CID 8606123

IUPAC(2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O3/c19-15(18-8-4-1-5-9-18)11-21-16(20)13-10-17-14-7-3-2-6-12(13)14/h2-3,6-7,10,17H,1,4-5,8-9,11H2
InChIKeyDEMOMJBTOGAREW-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.34
Rot. Bonds3

About (2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate (PubChem CID 8606123) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate
PubChem CID8606123
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate
SMILESO=C(OCC(=O)N1CCCCC1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H18N2O3/c19-15(18-8-4-1-5-9-18)11-21-16(20)13-10-17-14-7-3-2-6-12(13)14/h2-3,6-7,10,17H,1,4-5,8-9,11H2
InChIKeyDEMOMJBTOGAREW-UHFFFAOYSA-N
XLogP2.34
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Indole-3-Carboxylic Acid
CID 69867
Tropisetron
CID 656665
(1-(2-((Methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl 1-methyl-1H-indole-3-carboxylate
CID 119376
Tropisetron hydrochloride
CID 656664
Methyl indole-3-carboxylate
CID 589098
1H-Indole-3-carboxylic acid, octahydro-3-oxo-2,6-methano-2H-quinolizin-8-yl ester, stereoisomer
CID 3033818
(3-endo)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 1H-indole-3-carboxylic acid ester monohydrochloride
CID 9818540
Ethanone, 2-(acetyloxy)-1-(1H-indol-3-yl)-
CID 214011
SB 203186
CID 3272300
8-Methyl-8-azabicyclo(3.2.1)octan-3-yl 1H-indole-3-carboxylate
CID 5595
4-[2-(1H-Indol-3-yl)-2-oxo-acetylamino]-benzoic acid methyl ester
CID 2176047
1-Piperidinylethyl-1H-indole-3-carboxylate hydrochloride
CID 9926639

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate (CID 8606123) is (2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate is O=C(OCC(=O)N1CCCCC1)c1c[nH]c2ccccc12.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate?
The InChIKey is DEMOMJBTOGAREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15(18-8-4-1-5-9-18)11-21-16(20)13-10-17-14-7-3-2-6-12(13)14/h2-3,6-7,10,17H,1,4-5,8-9,11H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 1H-indole-3-carboxylate is sourced from PubChem (CID 8606123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).