tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate

C18H27N3O2 — CID 23577314

IUPACtert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CC1CC2CCC(C1)N2)c1ccncc1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)21(16-6-8-19-9-7-16)12-13-10-14-4-5-15(11-13)20-14/h6-9,13-15,20H,4-5,10-12H2,1-3H3
InChIKeyNCCOIUUIBHSVAP-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate

tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate (PubChem CID 23577314) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate
PubChem CID23577314
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Nametert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate
SMILESCC(C)(C)OC(=O)N(CC1CC2CCC(C1)N2)c1ccncc1
InChIInChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)21(16-6-8-19-9-7-16)12-13-10-14-4-5-15(11-13)20-14/h6-9,13-15,20H,4-5,10-12H2,1-3H3
InChIKeyNCCOIUUIBHSVAP-UHFFFAOYSA-N
XLogP3.35
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate?
The IUPAC name of tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate (CID 23577314) is tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate.
What is the SMILES notation for tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate?
The canonical SMILES for tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate is CC(C)(C)OC(=O)N(CC1CC2CCC(C1)N2)c1ccncc1.
What is the InChIKey of tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate?
The InChIKey is NCCOIUUIBHSVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)21(16-6-8-19-9-7-16)12-13-10-14-4-5-15(11-13)20-14/h6-9,13-15,20H,4-5,10-12H2,1-3H3.
What are the key properties of tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate?
tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate has a molecular weight of 317.43 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-N-pyridin-4-ylcarbamate is sourced from PubChem (CID 23577314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).