tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate

C16H23N3O2 — CID 175704989

IUPACtert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCc1ccnc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1
InChIInChI=1S/C16H23N3O2/c1-12-5-6-17-13(7-12)18-8-16(9-18)10-19(11-16)14(20)21-15(2,3)4/h5-7H,8-11H2,1-4H3
InChIKeyBQNINQDNUJAQCG-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.45
Rot. Bonds1

About tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 175704989) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID175704989
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Nametert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCc1ccnc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1
InChIInChI=1S/C16H23N3O2/c1-12-5-6-17-13(7-12)18-8-16(9-18)10-19(11-16)14(20)21-15(2,3)4/h5-7H,8-11H2,1-4H3
InChIKeyBQNINQDNUJAQCG-UHFFFAOYSA-N
XLogP2.45
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 6-pyrazin-2-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 132850081
(2R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(4-methyl-2-pyridinyl)piperazine-2-carboxylic acid
CID 97176220
tert-butyl 6-[5-(4-methoxypyrazolo[1,5-a]pyridin-6-yl)-2-pyridinyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 177310837
tert-butyl 6-(4-phenylphenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 102596666
tert-butyl 6-(6-fluoro-3-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 70822327
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 7-(2-methoxy-4-pyridinyl)-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 135301753
tert-butyl 6-(4-chloro-2-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 156503410
tert-butyl 4-[2-methyl-2-(4-methyl-2-pyridinyl)propanoyl]piperazine-1-carboxylate
CID 123722190
tert-butyl 6-(3-bromophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 170087679
tert-butyl 6-(3-chloro-4-fluorophenyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 168920700
CID 89265211
CID 89265211

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 175704989) is tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate is Cc1ccnc(N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1.
What is the InChIKey of tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is BQNINQDNUJAQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-5-6-17-13(7-12)18-8-16(9-18)10-19(11-16)14(20)21-15(2,3)4/h5-7H,8-11H2,1-4H3.
What are the key properties of tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 289.38 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(4-methyl-2-pyridinyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 175704989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).