tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate

C20H24N2O4 — CID 141211122

IUPACtert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate
SMILESCOC(=O)C1=C(c2cc3ccccc3n2C(=O)OC(C)(C)C)NCCC1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-15-10-6-5-8-13(15)12-16(22)17-14(18(23)25-4)9-7-11-21-17/h5-6,8,10,12,21H,7,9,11H2,1-4H3
InChIKeyJNCMCOXVIDOIGL-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.69
Rot. Bonds2

About tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate

tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate (PubChem CID 141211122) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate
PubChem CID141211122
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nametert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate
SMILESCOC(=O)C1=C(c2cc3ccccc3n2C(=O)OC(C)(C)C)NCCC1
InChIInChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-15-10-6-5-8-13(15)12-16(22)17-14(18(23)25-4)9-7-11-21-17/h5-6,8,10,12,21H,7,9,11H2,1-4H3
InChIKeyJNCMCOXVIDOIGL-UHFFFAOYSA-N
XLogP3.69
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 71078189
tert-butyl 2-(3-fluorophenyl)indole-1-carboxylate
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tert-butyl 2-hydroxyindole-1-carboxylate
CID 59887114
chlorooxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]borinic acid
CID 174717062
tert-butyl 2-(6-acetamido-2-pyridinyl)indole-1-carboxylate
CID 177047458
tert-butyl 2-naphthalen-2-ylpyrrolo[2,3-c]pyridine-1-carboxylate
CID 16741844
tert-butyl 2-(6-oxo-1H-pyrimidin-5-yl)indole-1-carboxylate
CID 122200469
tert-butyl 2-propan-2-ylindole-1-carboxylate
CID 71120624
tert-butyl 2-carbamoylindole-1-carboxylate
CID 133057328
tert-butyl 2-(2-benzamido-2,3-dihydro-1H-inden-5-yl)indole-1-carboxylate
CID 25190870
tert-butyl 2-phenylpyrrolo[3,2-c]pyridine-1-carboxylate
CID 69193959
tert-butyl 2-(6-formyl-3-oxo-1,2-dihydroisoindol-4-yl)indole-1-carboxylate
CID 87583608

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate?
The IUPAC name of tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate (CID 141211122) is tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate is COC(=O)C1=C(c2cc3ccccc3n2C(=O)OC(C)(C)C)NCCC1.
What is the InChIKey of tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate?
The InChIKey is JNCMCOXVIDOIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-20(2,3)26-19(24)22-15-10-6-5-8-13(15)12-16(22)17-14(18(23)25-4)9-7-11-21-17/h5-6,8,10,12,21H,7,9,11H2,1-4H3.
What are the key properties of tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate?
tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-methoxycarbonyl-1,2,3,4-tetrahydropyridin-6-yl)indole-1-carboxylate is sourced from PubChem (CID 141211122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).