benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate

C17H23N3O3 — CID 178181982

IUPACbenzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C2CNC23COC3)CC1
InChIInChI=1S/C17H23N3O3/c21-16(23-11-14-4-2-1-3-5-14)20-8-6-19(7-9-20)15-10-18-17(15)12-22-13-17/h1-5,15,18H,6-13H2
InChIKeyASPKDGWYVQMLOE-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.68
Rot. Bonds3

About benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate

benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate (PubChem CID 178181982) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate
PubChem CID178181982
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Namebenzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(C2CNC23COC3)CC1
InChIInChI=1S/C17H23N3O3/c21-16(23-11-14-4-2-1-3-5-14)20-8-6-19(7-9-20)15-10-18-17(15)12-22-13-17/h1-5,15,18H,6-13H2
InChIKeyASPKDGWYVQMLOE-UHFFFAOYSA-N
XLogP0.68
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-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

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
benzyl 4-(4-aminocyclohexyl)piperazine-1-carboxylate
CID 70843461
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl piperidine-1-carboxylate
CID 158057698
benzyl (4S)-4-amino-2-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 170907398
benzyl 3,3-dimethylpiperazine-1-carboxylate
CID 51358536
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
benzyl 4-(5-chloro-6-oxodiazinan-4-yl)piperazine-1-carboxylate
CID 74259864
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 2-amino-6-azaspiro[2.5]octane-6-carboxylate
CID 71302045

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate (CID 178181982) is benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(C2CNC23COC3)CC1.
What is the InChIKey of benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate?
The InChIKey is ASPKDGWYVQMLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(23-11-14-4-2-1-3-5-14)20-8-6-19(7-9-20)15-10-18-17(15)12-22-13-17/h1-5,15,18H,6-13H2.
What are the key properties of benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate?
benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(6-oxa-1-azaspiro[3.3]heptan-3-yl)piperazine-1-carboxylate is sourced from PubChem (CID 178181982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).