(3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one

C19H24N4O2 — CID 95715924

IUPAC(3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCC(C)(C)c1nc(CN2CCC[C@@]3(C2)C(=O)Nc2ccccc23)no1
InChIInChI=1S/C19H24N4O2/c1-18(2,3)17-21-15(22-25-17)11-23-10-6-9-19(12-23)13-7-4-5-8-14(13)20-16(19)24/h4-5,7-8H,6,9-12H2,1-3H3,(H,20,24)/t19-/m0/s1
InChIKeyJVBQVAPWOWCUFF-IBGZPJMESA-N
MW340.43 g/mol
LogP2.85
Rot. Bonds2

About (3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one

(3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one (PubChem CID 95715924) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one.

Molecular Properties

Compound Name(3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one
PubChem CID95715924
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one
SMILESCC(C)(C)c1nc(CN2CCC[C@@]3(C2)C(=O)Nc2ccccc23)no1
InChIInChI=1S/C19H24N4O2/c1-18(2,3)17-21-15(22-25-17)11-23-10-6-9-19(12-23)13-7-4-5-8-14(13)20-16(19)24/h4-5,7-8H,6,9-12H2,1-3H3,(H,20,24)/t19-/m0/s1
InChIKeyJVBQVAPWOWCUFF-IBGZPJMESA-N
XLogP2.85
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-(2-methylpropyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 10199060
1'-(1H-indol-2-ylmethyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 56910560
1'-[[3-(2-methylpropyl)imidazol-4-yl]methyl]spiro[1H-indole-3,3'-piperidine]-2-one
CID 56899265
methyl-(2-oxospiro[1H-indole-3,3'-piperidine]-1'-yl)borinic acid
CID 59564965
(3R)-1'-(5-phenyl-1,2,4-oxadiazol-3-yl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95707316
molecular hydrogen;spiro[1H-indole-3,1'-cyclobutane]-2-one
CID 145209538
1'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one;hydrochloride
CID 3042074
1'-ethylspiro[1H-indole-3,4'-piperidine]-2-one
CID 3042076
1'-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70774467
(5R)-3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 95589595
5-tert-butyl-3-[[(3R)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95973173
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988

Frequently Asked Questions

What is the IUPAC name of (3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one?
The IUPAC name of (3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one (CID 95715924) is (3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one.
What is the SMILES notation for (3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one?
The canonical SMILES for (3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one is CC(C)(C)c1nc(CN2CCC[C@@]3(C2)C(=O)Nc2ccccc23)no1.
What is the InChIKey of (3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one?
The InChIKey is JVBQVAPWOWCUFF-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N4O2/c1-18(2,3)17-21-15(22-25-17)11-23-10-6-9-19(12-23)13-7-4-5-8-14(13)20-16(19)24/h4-5,7-8H,6,9-12H2,1-3H3,(H,20,24)/t19-/m0/s1.
What are the key properties of (3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one?
(3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one has a molecular weight of 340.43 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]spiro[1H-indole-3,3'-piperidine]-2-one is sourced from PubChem (CID 95715924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).