tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate

C15H21N3O2 — CID 175918955

IUPACtert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CNC2)C1c1cccnc1
InChIInChI=1S/C15H21N3O2/c1-14(2,3)20-13(19)18-10-15(8-17-9-15)12(18)11-5-4-6-16-7-11/h4-7,12,17H,8-10H2,1-3H3
InChIKeyDEJZPVMSQSVECC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.96
Rot. Bonds1

About tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 175918955) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID175918955
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Nametert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CNC2)C1c1cccnc1
InChIInChI=1S/C15H21N3O2/c1-14(2,3)20-13(19)18-10-15(8-17-9-15)12(18)11-5-4-6-16-7-11/h4-7,12,17H,8-10H2,1-3H3
InChIKeyDEJZPVMSQSVECC-UHFFFAOYSA-N
XLogP1.96
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 175918955) is tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CNC2)C1c1cccnc1.
What is the InChIKey of tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is DEJZPVMSQSVECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-14(2,3)20-13(19)18-10-15(8-17-9-15)12(18)11-5-4-6-16-7-11/h4-7,12,17H,8-10H2,1-3H3.
What are the key properties of tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate?
tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-pyridin-3-yl-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 175918955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).