tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate

C25H38N2O2 — CID 70957612

IUPACtert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCc1ccc2c(c1)C1(CCN(C(C)C3CCCC3)CC1)CN2C(=O)OC(C)(C)C
InChIInChI=1S/C25H38N2O2/c1-18-10-11-22-21(16-18)25(17-27(22)23(28)29-24(3,4)5)12-14-26(15-13-25)19(2)20-8-6-7-9-20/h10-11,16,19-20H,6-9,12-15,17H2,1-5H3
InChIKeyKDRLSVIQILMJRG-UHFFFAOYSA-N
MW398.59 g/mol
LogP5.66
Rot. Bonds2

About tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate

tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate (PubChem CID 70957612) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
PubChem CID70957612
Molecular FormulaC25H38N2O2
Molecular Weight398.59 g/mol
Exact Mass398.29
IUPAC Nametert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
SMILESCc1ccc2c(c1)C1(CCN(C(C)C3CCCC3)CC1)CN2C(=O)OC(C)(C)C
InChIInChI=1S/C25H38N2O2/c1-18-10-11-22-21(16-18)25(17-27(22)23(28)29-24(3,4)5)12-14-26(15-13-25)19(2)20-8-6-7-9-20/h10-11,16,19-20H,6-9,12-15,17H2,1-5H3
InChIKeyKDRLSVIQILMJRG-UHFFFAOYSA-N
XLogP5.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.59
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-fluoro-1'-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 143399561
N-cyclohexyl-5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-carboxamide
CID 23909492
tert-butyl 1'-(3,6-dimethylcycloheptyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate;methanamine
CID 143533103
tert-butyl 5-fluoro-1'-(8-phenylmethoxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59433302
tert-butyl 1'-(2,2-diphenylacetyl)spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 11352146
tert-butyl 7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 72710357
cyclobutyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433761
tert-butyl 4-amino-7-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 155571856
tert-butyl 5-methyl-2,3-dihydroindole-1-carboxylate
CID 10657293
methyl 4-[(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]piperidine-1-carboxylate
CID 59433666
[(3R)-oxolan-3-yl] 5-methyl-1'-[8-[(3R)-oxolan-3-yl]oxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl]spiro[2H-indole-3,4'-piperidine]-1-carboxylate
CID 59614166
propyl 4-(1-acetyl-5-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)piperidine-1-carboxylate
CID 59433053

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The IUPAC name of tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate (CID 70957612) is tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate is Cc1ccc2c(c1)C1(CCN(C(C)C3CCCC3)CC1)CN2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate?
The InChIKey is KDRLSVIQILMJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-18-10-11-22-21(16-18)25(17-27(22)23(28)29-24(3,4)5)12-14-26(15-13-25)19(2)20-8-6-7-9-20/h10-11,16,19-20H,6-9,12-15,17H2,1-5H3.
What are the key properties of tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate?
tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate has a molecular weight of 398.59 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1'-(1-cyclopentylethyl)-5-methylspiro[2H-indole-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 70957612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).