tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate

C16H28N2O2 — CID 115051625

IUPACtert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CC23CCNC3)CC1
InChIInChI=1S/C16H28N2O2/c1-15(2,3)20-14(19)18-8-4-12(5-9-18)13-10-16(13)6-7-17-11-16/h12-13,17H,4-11H2,1-3H3
InChIKeyHWKVPBSXLTWTEH-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.63
Rot. Bonds1

About tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate (PubChem CID 115051625) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate
PubChem CID115051625
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nametert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CC23CCNC3)CC1
InChIInChI=1S/C16H28N2O2/c1-15(2,3)20-14(19)18-8-4-12(5-9-18)13-10-16(13)6-7-17-11-16/h12-13,17H,4-11H2,1-3H3
InChIKeyHWKVPBSXLTWTEH-UHFFFAOYSA-N
XLogP2.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 71305847
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;hydrochloride
CID 19349778
bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate
CID 162368130
tert-butyl 4-[[(3R)-3-(trifluoromethyl)pyrrolidin-3-yl]methylamino]piperidine-1-carboxylate
CID 90856964
tert-butyl 4-(2,2-dichloro-3-oxocyclobutyl)piperidine-1-carboxylate
CID 155600525
tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 82386806
tert-butyl 4-[(3S)-piperidin-3-yl]piperidine-1-carboxylate
CID 96536723
tert-butyl 4-(4-oxa-7-azaspiro[2.5]octan-5-yl)piperidine-1-carboxylate
CID 129073943
tert-butyl 4-[2-(4-hydroxypiperidin-4-yl)ethynyl]piperidine-1-carboxylate
CID 170903383
2-(1-methylpyrrolidin-3-yl)-5-azaspiro[2.4]heptane
CID 115015784
tert-butyl 4-[3,3-bis(hydroxysulfanyl)cyclobutyl]piperidine-1-carboxylate
CID 175111448
tert-butyl 4,4-bis(hydroxymethyl)piperidine-1-carboxylate;[4-(hydroxymethyl)piperidin-4-yl]methanol
CID 161037215

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate (CID 115051625) is tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CC23CCNC3)CC1.
What is the InChIKey of tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate?
The InChIKey is HWKVPBSXLTWTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-15(2,3)20-14(19)18-8-4-12(5-9-18)13-10-16(13)6-7-17-11-16/h12-13,17H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate has a molecular weight of 280.41 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 115051625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).