tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate

C18H26N2O2 — CID 117487377

IUPACtert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(C3CCCCN3)ccc21
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-11-9-14-12-13(7-8-16(14)20)15-6-4-5-10-19-15/h7-8,12,15,19H,4-6,9-11H2,1-3H3
InChIKeyLKEQERFFXSYTHW-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.80
Rot. Bonds1

About tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate

tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate (PubChem CID 117487377) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate
PubChem CID117487377
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cc(C3CCCCN3)ccc21
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-11-9-14-12-13(7-8-16(14)20)15-6-4-5-10-19-15/h7-8,12,15,19H,4-6,9-11H2,1-3H3
InChIKeyLKEQERFFXSYTHW-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-piperidin-2-yl-2,3-dihydroindole-1-carboxylate
CID 117487375
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
tert-butyl 5-methoxy-2,3-dihydroindole-1-carboxylate
CID 10514762
tert-butyl 6-fluoro-3,4-dihydro-2H-quinoline-1-carboxylate
CID 14175818
tert-butyl 5-(aminomethyl)-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 178200769
5-bromo-2,3-dihydro-1H-indole;tert-butyl 5-bromo-2,3-dihydroindole-1-carboxylate
CID 158223864
tert-butyl 5-[hydroxy(methoxy)methyl]-2,3-dihydroindole-1-carboxylate
CID 142313343
tert-butyl 6-(azetidin-3-ylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 107242293
tert-butyl N-(2-bromo-5-piperidin-2-ylphenyl)carbamate
CID 117116356
tert-butyl 6-(2-aminopropan-2-yl)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 117469429
tert-butyl 6-(oxetan-3-yl)-2,3-dihydroindole-1-carboxylate
CID 170628662
tert-butyl 5-(1-hydroxypropan-2-yl)-2,3-dihydroindole-1-carboxylate
CID 117444696

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate (CID 117487377) is tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CCc2cc(C3CCCCN3)ccc21.
What is the InChIKey of tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate?
The InChIKey is LKEQERFFXSYTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-11-9-14-12-13(7-8-16(14)20)15-6-4-5-10-19-15/h7-8,12,15,19H,4-6,9-11H2,1-3H3.
What are the key properties of tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate?
tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-piperidin-2-yl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 117487377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).