tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate

C17H31N3O2 — CID 155218993

IUPACtert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(C3CCNCC3)CC2)C1
InChIInChI=1S/C17H31N3O2/c1-16(2,3)22-15(21)20-12-17(13-20)6-10-19(11-7-17)14-4-8-18-9-5-14/h14,18H,4-13H2,1-3H3
InChIKeyIDDKONYXOYCXJJ-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.07
Rot. Bonds1

About tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate

tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate (PubChem CID 155218993) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate
PubChem CID155218993
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Nametert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CC2(CCN(C3CCNCC3)CC2)C1
InChIInChI=1S/C17H31N3O2/c1-16(2,3)22-15(21)20-12-17(13-20)6-10-19(11-7-17)14-4-8-18-9-5-14/h14,18H,4-13H2,1-3H3
InChIKeyIDDKONYXOYCXJJ-UHFFFAOYSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The IUPAC name of tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate (CID 155218993) is tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The canonical SMILES for tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate is CC(C)(C)OC(=O)N1CC2(CCN(C3CCNCC3)CC2)C1.
What is the InChIKey of tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate?
The InChIKey is IDDKONYXOYCXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-16(2,3)22-15(21)20-12-17(13-20)6-10-19(11-7-17)14-4-8-18-9-5-14/h14,18H,4-13H2,1-3H3.
What are the key properties of tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate?
tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate has a molecular weight of 309.45 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-piperidin-4-yl-2,7-diazaspiro[3.5]nonane-2-carboxylate is sourced from PubChem (CID 155218993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).