tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

C23H30N4O4 — CID 134478427

IUPACtert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)N1C(=O)Cc2ccc(-c3noc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)cc21
InChIInChI=1S/C23H30N4O4/c1-14(2)27-18-12-17(7-6-16(18)13-19(27)28)20-24-21(31-25-20)15-8-10-26(11-9-15)22(29)30-23(3,4)5/h6-7,12,14-15H,8-11,13H2,1-5H3
InChIKeyTTWGUMLZYATXCE-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.15
Rot. Bonds3

About tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate (PubChem CID 134478427) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
PubChem CID134478427
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Nametert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
SMILESCC(C)N1C(=O)Cc2ccc(-c3noc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)cc21
InChIInChI=1S/C23H30N4O4/c1-14(2)27-18-12-17(7-6-16(18)13-19(27)28)20-24-21(31-25-20)15-8-10-26(11-9-15)22(29)30-23(3,4)5/h6-7,12,14-15H,8-11,13H2,1-5H3
InChIKeyTTWGUMLZYATXCE-UHFFFAOYSA-N
XLogP4.15
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethane;1-propan-2-yl-7-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydroquinolin-2-one
CID 142520953
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
tert-butyl 4-[3-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134478013
tert-butyl 4-[3-[2-(oxolan-3-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439530
tert-butyl 4-[3-(1-methylimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142337967
tert-butyl 4-[3-[2-(1-acetylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477535
tert-butyl 4-[3-[1-[(1E)-3-fluorobuta-1,3-dienyl]indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 134477759
tert-butyl 4-[3-[2-(1-ethylazetidin-3-yl)indazol-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 137439497
tert-butyl (3S)-3-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 66618481
tert-butyl 4-[3-[(1E)-1-[(3-hydroxycyclobutyl)methylidene]indazol-1-ium-6-yl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 153382482
tert-butyl 3-[6-[5-(1-prop-1-en-2-ylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]indazol-1-yl]azetidine-1-carboxylate;ethane
CID 142338166
tert-butyl N-[2-oxo-2-[4-[3-(1-propan-2-ylindazol-6-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]carbamate
CID 153308155

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate (CID 134478427) is tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate is CC(C)N1C(=O)Cc2ccc(-c3noc(C4CCN(C(=O)OC(C)(C)C)CC4)n3)cc21.
What is the InChIKey of tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
The InChIKey is TTWGUMLZYATXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-14(2)27-18-12-17(7-6-16(18)13-19(27)28)20-24-21(31-25-20)15-8-10-26(11-9-15)22(29)30-23(3,4)5/h6-7,12,14-15H,8-11,13H2,1-5H3.
What are the key properties of tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate?
tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate has a molecular weight of 426.52 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(2-oxo-1-propan-2-yl-3H-indol-6-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate is sourced from PubChem (CID 134478427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).