1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate

C16H22N2O2 — CID 70087162

IUPAC1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate
SMILESCC(OC(=O)N1CCc2ccccc21)C1CCCCN1
InChIInChI=1S/C16H22N2O2/c1-12(14-7-4-5-10-17-14)20-16(19)18-11-9-13-6-2-3-8-15(13)18/h2-3,6,8,12,14,17H,4-5,7,9-11H2,1H3
InChIKeyWSMNEVPVPOGYHU-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.72
Rot. Bonds2

About 1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate

1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate (PubChem CID 70087162) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Name1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate
PubChem CID70087162
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate
SMILESCC(OC(=O)N1CCc2ccccc21)C1CCCCN1
InChIInChI=1S/C16H22N2O2/c1-12(14-7-4-5-10-17-14)20-16(19)18-11-9-13-6-2-3-8-15(13)18/h2-3,6,8,12,14,17H,4-5,7,9-11H2,1H3
InChIKeyWSMNEVPVPOGYHU-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydroindol-1-yl-(3-methylpiperidin-2-yl)methanone
CID 62340975
[(1S)-1-pyrrolidin-2-ylethyl] 2-hydroxy-2,2-diphenylacetate
CID 67195730
bromo 2,3-dihydroindole-1-carboxylate
CID 140683815
2-cyclohexylsulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 23887511
tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate
CID 117487377
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
(2R)-1-(2,3-dihydroindol-1-yl)-2-phenylpropan-1-one
CID 134943813
(2R)-2-phenyl-2-[(2R)-piperidin-2-yl]acetamide
CID 11085277
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
tert-butyl 4-piperidin-2-yl-2,3-dihydroindole-1-carboxylate
CID 117487375
1-cyclohexyl-3-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]urea
CID 92881427

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate?
The IUPAC name of 1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate (CID 70087162) is 1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for 1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate?
The canonical SMILES for 1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate is CC(OC(=O)N1CCc2ccccc21)C1CCCCN1.
What is the InChIKey of 1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate?
The InChIKey is WSMNEVPVPOGYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(14-7-4-5-10-17-14)20-16(19)18-11-9-13-6-2-3-8-15(13)18/h2-3,6,8,12,14,17H,4-5,7,9-11H2,1H3.
What are the key properties of 1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate?
1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate has a molecular weight of 274.36 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-2-ylethyl 2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 70087162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).