tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate

C18H24N2O3 — CID 67472855

IUPACtert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)19-10-8-14(9-11-19)20-15-7-5-4-6-13(15)12-16(20)21/h4-7,14H,8-12H2,1-3H3
InChIKeyLWJUTDROJPEMKB-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.98
Rot. Bonds1

About tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate

tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate (PubChem CID 67472855) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
PubChem CID67472855
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Nametert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1
InChIInChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)19-10-8-14(9-11-19)20-15-7-5-4-6-13(15)12-16(20)21/h4-7,14H,8-12H2,1-3H3
InChIKeyLWJUTDROJPEMKB-UHFFFAOYSA-N
XLogP2.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate
CID 126544996
4-oxo-4-[4-(2-oxo-3H-indol-1-yl)piperidin-1-yl]but-2-enoic acid
CID 4088270
1-(1-ethylpiperidin-4-yl)-3H-indol-2-one
CID 71199047
tert-butyl 4-[3-(1,3-dioxoisoindol-2-yl)azetidin-1-yl]piperidine-1-carboxylate
CID 166030831
tert-butyl (3S,4R)-3-methyl-4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylate
CID 90778389
tert-butyl 4-(1,3-dihydroisoindole-2-carbonyl)piperidine-1-carboxylate
CID 169094693
tert-butyl 4-(6-bromo-2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carboxylate
CID 70106573
tert-butyl 9H-acridine-10-carboxylate
CID 102499784
tert-butyl 4-(3-hydroxy-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 66800319
tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate
CID 164914870
tert-butyl 4-(3,4-dihydro-1H-isoquinolin-2-yl)azepane-1-carboxylate
CID 155109001
tert-butyl N-[4-[2-oxo-2-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidin-1-yl]ethyl]phenyl]carbamate
CID 19030846

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate (CID 67472855) is tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N2C(=O)Cc3ccccc32)CC1.
What is the InChIKey of tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate?
The InChIKey is LWJUTDROJPEMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(2,3)23-17(22)19-10-8-14(9-11-19)20-15-7-5-4-6-13(15)12-16(20)21/h4-7,14H,8-12H2,1-3H3.
What are the key properties of tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 67472855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).