tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate

C18H26N2O2 — CID 166834794

IUPACtert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CC(Cc3ccncc3)C2)C1
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-15-11-18(12-15)9-14(10-18)8-13-4-6-19-7-5-13/h4-7,14-15H,8-12H2,1-3H3,(H,20,21)
InChIKeyCWBXBLBXMVXRAE-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.71
Rot. Bonds3

About tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate

tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate (PubChem CID 166834794) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate
PubChem CID166834794
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CC(Cc3ccncc3)C2)C1
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-15-11-18(12-15)9-14(10-18)8-13-4-6-19-7-5-13/h4-7,14-15H,8-12H2,1-3H3,(H,20,21)
InChIKeyCWBXBLBXMVXRAE-UHFFFAOYSA-N
XLogP3.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
CID 146082168
tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate
CID 167738140
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
6-aminospiro[3.3]heptan-2-ol;tert-butyl N-(2-hydroxyspiro[3.3]heptan-6-yl)carbamate;dihydrochloride
CID 157204517
tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-pyridin-4-ylethyl]carbamate
CID 10587696
tert-butyl N-[6-[[2-(4-chlorophenoxy)acetyl]amino]spiro[3.3]heptan-2-yl]carbamate
CID 177211615
tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate
CID 46829957
tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
tert-butyl N-[(3aS,4R,6aR)-2-(pyridin-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 100895158
tert-butyl 3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxylate
CID 170629812
bis(tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate);oxalic acid
CID 91663877

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate (CID 166834794) is tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate is CC(C)(C)OC(=O)NC1CC2(CC(Cc3ccncc3)C2)C1.
What is the InChIKey of tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate?
The InChIKey is CWBXBLBXMVXRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-15-11-18(12-15)9-14(10-18)8-13-4-6-19-7-5-13/h4-7,14-15H,8-12H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate?
tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate has a molecular weight of 302.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(pyridin-4-ylmethyl)spiro[3.3]heptan-2-yl]carbamate is sourced from PubChem (CID 166834794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).