tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

C19H33N3O4 — CID 118570244

IUPACtert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)N1CCCCC1)CCO2
InChIInChI=1S/C19H33N3O4/c1-18(2,3)26-17(24)21-11-7-19(8-12-21)15-22(13-14-25-19)16(23)20-9-5-4-6-10-20/h4-15H2,1-3H3
InChIKeyYMEPUYGJTVHOMZ-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.69
Rot. Bonds

About tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 118570244) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID118570244
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Nametert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)N1CCCCC1)CCO2
InChIInChI=1S/C19H33N3O4/c1-18(2,3)26-17(24)21-11-7-19(8-12-21)15-22(13-14-25-19)16(23)20-9-5-4-6-10-20/h4-15H2,1-3H3
InChIKeyYMEPUYGJTVHOMZ-UHFFFAOYSA-N
XLogP2.69
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate (CID 118570244) is tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)N1CCCCC1)CCO2.
What is the InChIKey of tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is YMEPUYGJTVHOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-18(2,3)26-17(24)21-11-7-19(8-12-21)15-22(13-14-25-19)16(23)20-9-5-4-6-10-20/h4-15H2,1-3H3.
What are the key properties of tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(piperidine-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 118570244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).