tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate

C17H22N2O3 — CID 69184428

IUPACtert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C2(CCNCC2)c2ccccc21
InChIInChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-13-7-5-4-6-12(13)17(14(19)20)8-10-18-11-9-17/h4-7,18H,8-11H2,1-3H3
InChIKeyWXLLNTNLOSNJRR-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.59
Rot. Bonds

About tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate

tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate (PubChem CID 69184428) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate
PubChem CID69184428
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nametert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)C2(CCNCC2)c2ccccc21
InChIInChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-13-7-5-4-6-12(13)17(14(19)20)8-10-18-11-9-17/h4-7,18H,8-11H2,1-3H3
InChIKeyWXLLNTNLOSNJRR-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-benzyl-3-ethyl-2-oxoindole-1-carboxylate
CID 56966781
tert-butyl (3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-2-oxoindole-1-carboxylate
CID 46867340
1-[2-[2-(trifluoromethyl)phenyl]acetyl]spiro[indole-3,4'-piperidine]-2-one
CID 68788369
1-(3-methyl-1H-indene-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 69089848
tert-butyl (3S)-3-(hydroxymethyl)-3-[(4-methylphenyl)methyl]-2-oxoindole-1-carboxylate
CID 46867697
1-propan-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 69193884
tert-butyl 5'-nitro-2'-oxospiro[cyclobutane-1,3'-indole]-1'-carboxylate
CID 118186268
tert-butyl (3R)-3-nitro-2-oxo-3-phenylindole-1-carboxylate
CID 164681239
tert-butyl (3R)-3-(2-methylprop-1-enyl)-2-oxo-3-phenylindole-1-carboxylate
CID 132549126
1-(6-methoxy-1H-indole-2-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 68815259
tert-butyl 3-benzyl-2-oxo-3-(3-oxocyclopentyl)indole-1-carboxylate
CID 71680994
tert-butyl 3-[2-(methoxycarbonylamino)ethyl]-3-[3-[2-(methoxycarbonylamino)ethyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxoindol-3-yl]-2-oxoindole-1-carboxylate
CID 72662430

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate?
The IUPAC name of tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate (CID 69184428) is tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate.
What is the SMILES notation for tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate?
The canonical SMILES for tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)C2(CCNCC2)c2ccccc21.
What is the InChIKey of tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate?
The InChIKey is WXLLNTNLOSNJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-13-7-5-4-6-12(13)17(14(19)20)8-10-18-11-9-17/h4-7,18H,8-11H2,1-3H3.
What are the key properties of tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate?
tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate is sourced from PubChem (CID 69184428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).