tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

C19H35N3O3 — CID 163935120

IUPACtert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(CC1CCCNC1)CCO2
InChIInChI=1S/C19H35N3O3/c1-18(2,3)25-17(23)22-9-6-19(7-10-22)15-21(11-12-24-19)14-16-5-4-8-20-13-16/h16,20H,4-15H2,1-3H3
InChIKeyRMBPVEIAHGQXEL-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.09
Rot. Bonds2

About tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate

tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate (PubChem CID 163935120) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
PubChem CID163935120
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Nametert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1)CN(CC1CCCNC1)CCO2
InChIInChI=1S/C19H35N3O3/c1-18(2,3)25-17(23)22-9-6-19(7-10-22)15-21(11-12-24-19)14-16-5-4-8-20-13-16/h16,20H,4-15H2,1-3H3
InChIKeyRMBPVEIAHGQXEL-UHFFFAOYSA-N
XLogP2.09
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The IUPAC name of tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate (CID 163935120) is tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate.
What is the SMILES notation for tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The canonical SMILES for tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1)CN(CC1CCCNC1)CCO2.
What is the InChIKey of tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
The InChIKey is RMBPVEIAHGQXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-18(2,3)25-17(23)22-9-6-19(7-10-22)15-21(11-12-24-19)14-16-5-4-8-20-13-16/h16,20H,4-15H2,1-3H3.
What are the key properties of tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate?
tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate has a molecular weight of 353.51 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(piperidin-3-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate is sourced from PubChem (CID 163935120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).