tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate

C18H24N2O3 — CID 166132108

IUPACtert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cccc3c2CC(=O)N3)CC1
InChIInChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20-9-7-12(8-10-20)13-5-4-6-15-14(13)11-16(21)19-15/h4-6,12H,7-11H2,1-3H3,(H,19,21)
InChIKeyWOQKWNOQTIFBRU-UHFFFAOYSA-N
MW316.40 g/mol
LogP3.30
Rot. Bonds1

About tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate

tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate (PubChem CID 166132108) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate
PubChem CID166132108
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cccc3c2CC(=O)N3)CC1
InChIInChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20-9-7-12(8-10-20)13-5-4-6-15-14(13)11-16(21)19-15/h4-6,12H,7-11H2,1-3H3,(H,19,21)
InChIKeyWOQKWNOQTIFBRU-UHFFFAOYSA-N
XLogP3.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171362038
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CID 130377896
tert-butyl 4-(4-bromo-2-oxo-1,3-dihydroindol-3-yl)piperidine-1-carboxylate
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CID 59141009
tert-butyl (3R)-3-(3,4-dihydro-2H-1,4-benzoxazin-8-yl)pyrrolidine-1-carboxylate
CID 170625506
tert-butyl 4-(4-chloro-2-hydroxyphenyl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate (CID 166132108) is tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cccc3c2CC(=O)N3)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate?
The InChIKey is WOQKWNOQTIFBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)20-9-7-12(8-10-20)13-5-4-6-15-14(13)11-16(21)19-15/h4-6,12H,7-11H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-1,3-dihydroindol-4-yl)piperidine-1-carboxylate is sourced from PubChem (CID 166132108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).