ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate

C14H25N3O2 — CID 171092521

IUPACethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate
SMILESCCOC(=O)N1CC2(CC[C@@H](N3CCNCC3)C2)C1
InChIInChI=1S/C14H25N3O2/c1-2-19-13(18)17-10-14(11-17)4-3-12(9-14)16-7-5-15-6-8-16/h12,15H,2-11H2,1H3/t12-/m1/s1
InChIKeyPJZJCXVFNGBVGN-GFCCVEGCSA-N
MW267.37 g/mol
LogP0.90
Rot. Bonds2

About ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate

ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate (PubChem CID 171092521) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate.

Molecular Properties

Compound Nameethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate
PubChem CID171092521
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Nameethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate
SMILESCCOC(=O)N1CC2(CC[C@@H](N3CCNCC3)C2)C1
InChIInChI=1S/C14H25N3O2/c1-2-19-13(18)17-10-14(11-17)4-3-12(9-14)16-7-5-15-6-8-16/h12,15H,2-11H2,1H3/t12-/m1/s1
InChIKeyPJZJCXVFNGBVGN-GFCCVEGCSA-N
XLogP0.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-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

ethyl (6R)-6-[4-(3-piperazin-1-yl-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171850152
ethyl (6R)-6-(4-propanimidoylpiperazin-1-yl)-2-azaspiro[3.4]octane-2-carboxylate
CID 171849727
ethyl 6-[4-(ethyliminomethyl)piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 175632058
ethyl 6-[4-[(2S)-1-[hydroxy(methylamino)methyl]pyrrolidin-2-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 126555484
ethyl 6-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]piperidin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 126555076
ethyl 6-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849927
[2-[4-[(6R)-2-ethoxycarbonyl-2-azaspiro[3.4]octan-6-yl]piperazin-1-yl]-3-pyridinyl]boronic acid
CID 171850088
ethyl 6-[4-(3-ethoxycarbonyloxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171850132
ethyl 6-[4-(3-cyclopropyloxy-2-pyridinyl)piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849470
ethyl 6-[4-[3-(3,3-difluorocyclobutyl)oxy-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171849832
ethyl (6R)-6-[4-[3-(5-methyl-1H-imidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 155683305
ethyl 6-[4-[3-(2,6-dimethylphenyl)-2-pyridinyl]piperazin-1-yl]-2-azaspiro[3.4]octane-2-carboxylate
CID 171850104

Frequently Asked Questions

What is the IUPAC name of ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate?
The IUPAC name of ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate (CID 171092521) is ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate.
What is the SMILES notation for ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate?
The canonical SMILES for ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate is CCOC(=O)N1CC2(CC[C@@H](N3CCNCC3)C2)C1.
What is the InChIKey of ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate?
The InChIKey is PJZJCXVFNGBVGN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-19-13(18)17-10-14(11-17)4-3-12(9-14)16-7-5-15-6-8-16/h12,15H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate?
ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate has a molecular weight of 267.37 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6R)-6-piperazin-1-yl-2-azaspiro[3.4]octane-2-carboxylate is sourced from PubChem (CID 171092521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).