tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate

C16H28N2O3 — CID 129073943

IUPACtert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CNCC3(CC3)O2)CC1
InChIInChI=1S/C16H28N2O3/c1-15(2,3)21-14(19)18-8-4-12(5-9-18)13-10-17-11-16(20-13)6-7-16/h12-13,17H,4-11H2,1-3H3
InChIKeyBDXORAISCBQFQB-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.15
Rot. Bonds1

About tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate

tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate (PubChem CID 129073943) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate
PubChem CID129073943
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CNCC3(CC3)O2)CC1
InChIInChI=1S/C16H28N2O3/c1-15(2,3)21-14(19)18-8-4-12(5-9-18)13-10-17-11-16(20-13)6-7-16/h12-13,17H,4-11H2,1-3H3
InChIKeyBDXORAISCBQFQB-UHFFFAOYSA-N
XLogP2.15
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

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CID 129069930
acetic acid;tert-butyl 2-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 130202721
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate
CID 115051625
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
tert-butyl 4-[(1R,5R)-3,8-diazabicyclo[3.2.1]octan-8-yl]piperidine-1-carboxylate
CID 98051504
tert-butyl 4-[3,3-bis(hydroxysulfanyl)cyclobutyl]piperidine-1-carboxylate
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tert-butyl 4-[(3S)-5-oxopyrrolidin-3-yl]piperidine-1-carboxylate
CID 97300200
tert-butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate;ethane
CID 176939891
tert-butyl (5aR,9aR)-3,4,5,5a,6,7,9,9a-octahydro-2H-pyrido[4,3-f][1,4]oxazepine-8-carboxylate
CID 124703831
7-cyclopropyl-6-oxa-9-azaspiro[4.5]decane
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate (CID 129073943) is tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CNCC3(CC3)O2)CC1.
What is the InChIKey of tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate?
The InChIKey is BDXORAISCBQFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2,3)21-14(19)18-8-4-12(5-9-18)13-10-17-11-16(20-13)6-7-16/h12-13,17H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 129073943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).