tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate

C17H22N2O2 — CID 15063418

IUPACtert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)18-13-8-9-19-14(11-13)10-12-6-4-5-7-15(12)19/h4-7,10,13H,8-9,11H2,1-3H3,(H,18,20)
InChIKeyNFSFIFHYJTYGHC-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.48
Rot. Bonds1

About tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate

tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate (PubChem CID 15063418) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate
PubChem CID15063418
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nametert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCn2c(cc3ccccc32)C1
InChIInChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)18-13-8-9-19-14(11-13)10-12-6-4-5-7-15(12)19/h4-7,10,13H,8-9,11H2,1-3H3,(H,18,20)
InChIKeyNFSFIFHYJTYGHC-UHFFFAOYSA-N
XLogP3.48
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6,7,8,9-tetrahydropyrido[1,2-a]indole-8-carboxylate
CID 15063389
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3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate?
The IUPAC name of tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate (CID 15063418) is tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate?
The canonical SMILES for tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate is CC(C)(C)OC(=O)NC1CCn2c(cc3ccccc32)C1.
What is the InChIKey of tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate?
The InChIKey is NFSFIFHYJTYGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2,3)21-16(20)18-13-8-9-19-14(11-13)10-12-6-4-5-7-15(12)19/h4-7,10,13H,8-9,11H2,1-3H3,(H,18,20).
What are the key properties of tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate?
tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate has a molecular weight of 286.38 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)carbamate is sourced from PubChem (CID 15063418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).