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

C18H26N2O2 — CID 118992991

IUPACtert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C2CCCNC2)c2ccccc21
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-12-15(13-7-6-10-19-11-13)14-8-4-5-9-16(14)20/h4-5,8-9,13,15,19H,6-7,10-12H2,1-3H3
InChIKeyUSLPNLMUGNPBHI-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.52
Rot. Bonds1

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

tert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate (PubChem CID 118992991) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate
PubChem CID118992991
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C2CCCNC2)c2ccccc21
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-12-15(13-7-6-10-19-11-13)14-8-4-5-9-16(14)20/h4-5,8-9,13,15,19H,6-7,10-12H2,1-3H3
InChIKeyUSLPNLMUGNPBHI-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-amino-2,3-dihydroindole-1-carboxylate;hydrochloride
CID 139593173
tert-butyl (4R)-4-hydroxy-3,4-dihydro-2H-quinoline-1-carboxylate
CID 124566960
benzyl (3R)-3-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxylate
CID 97110906
tert-butyl (3S)-3-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 97298298
tert-butyl (2S)-2-[(3R)-piperidin-3-yl]pyrrolidine-1-carboxylate
CID 28818782
tert-butyl 4-amino-3,4-dihydro-2H-quinoline-1-carboxylate
CID 18337536
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
tert-butyl (3R)-3-(3-hydroxypropyl)-2,3-dihydroindole-1-carboxylate
CID 155903983
tert-butyl 5-(trifluoromethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxylate
CID 90893433
tert-butyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydroindole-1-carboxylate
CID 134972074
tert-butyl 4-(methylamino)-3,4-dihydro-2H-quinoline-1-carboxylate
CID 79122225
tert-butyl 3-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]-2,3-dihydroindole-1-carboxylate
CID 11741009

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate (CID 118992991) is tert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CC(C2CCCNC2)c2ccccc21.
What is the InChIKey of tert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate?
The InChIKey is USLPNLMUGNPBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-12-15(13-7-6-10-19-11-13)14-8-4-5-9-16(14)20/h4-5,8-9,13,15,19H,6-7,10-12H2,1-3H3.
What are the key properties of tert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate?
tert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-piperidin-3-yl-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 118992991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).