tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate

C24H28N2O3 — CID 68543344

IUPACtert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc2c(c1)C1(CCNCC1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C24H28N2O3/c1-23(2,3)29-21(27)18-9-10-20-19(15-18)24(11-13-25-14-12-24)22(28)26(20)16-17-7-5-4-6-8-17/h4-10,15,25H,11-14,16H2,1-3H3
InChIKeyMGSFJXOVPZAECK-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.81
Rot. Bonds3

About tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate

tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate (PubChem CID 68543344) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate
PubChem CID68543344
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Nametert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate
SMILESCC(C)(C)OC(=O)c1ccc2c(c1)C1(CCNCC1)C(=O)N2Cc1ccccc1
InChIInChI=1S/C24H28N2O3/c1-23(2,3)29-21(27)18-9-10-20-19(15-18)24(11-13-25-14-12-24)22(28)26(20)16-17-7-5-4-6-8-17/h4-10,15,25H,11-14,16H2,1-3H3
InChIKeyMGSFJXOVPZAECK-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-oxospiro[indole-3,4'-piperidine]-1-carboxylate
CID 69184428
tert-butyl 1-[(4-cyanophenyl)methyl]-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 146405691
1-benzyl-4-fluorospiro[indole-3,4'-piperidine]-2-one
CID 175186657
6-methoxy-1-[(4-methoxyphenyl)methyl]spiro[indole-3,4'-piperidine]-2-one
CID 15982400
tert-butyl 1-(2-acetyloxyethyl)spiro[2H-indole-3,4'-piperidine]-5-carboxylate
CID 91439097
tert-butyl (2R,4S)-1'-benzyl-4-hydroxy-2'-oxo-5'-(trifluoromethoxy)spiro[1,3-thiazolidine-2,3'-indole]-3-carboxylate
CID 138971357
tert-butyl N-[(3R)-1-benzyl-3-cyano-5-methyl-2-oxoindol-3-yl]carbamate
CID 71658099
tert-butyl N-[(3S)-1-benzyl-5-bromo-3-hydroperoxy-2-oxoindol-3-yl]carbamate
CID 132821898
tert-butyl 2-(1-benzyl-5'-chloro-2,2',5-trioxospiro[imidazolidine-4,3'-indole]-1'-yl)acetate
CID 58017107
1'-benzyl-5'-methoxyspiro[cyclopropane-1,3'-indole]-2'-one;1H-indazole
CID 166128782
butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 144930300
3-benzyl-3,9-diazaspiro[5.5]undecane;tert-butyl 9-benzyl-3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 159956828

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate?
The IUPAC name of tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate (CID 68543344) is tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate.
What is the SMILES notation for tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate?
The canonical SMILES for tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate is CC(C)(C)OC(=O)c1ccc2c(c1)C1(CCNCC1)C(=O)N2Cc1ccccc1.
What is the InChIKey of tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate?
The InChIKey is MGSFJXOVPZAECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-23(2,3)29-21(27)18-9-10-20-19(15-18)24(11-13-25-14-12-24)22(28)26(20)16-17-7-5-4-6-8-17/h4-10,15,25H,11-14,16H2,1-3H3.
What are the key properties of tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate?
tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate has a molecular weight of 392.50 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-5-carboxylate is sourced from PubChem (CID 68543344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).