benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate

C15H20N2O2 — CID 71741476

IUPACbenzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC12CCCCN2
InChIInChI=1S/C15H20N2O2/c18-14(19-12-13-6-2-1-3-7-13)17-11-9-15(17)8-4-5-10-16-15/h1-3,6-7,16H,4-5,8-12H2
InChIKeyADVRPMHYMUXPSQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.50
Rot. Bonds2

About benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate

benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate (PubChem CID 71741476) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate
PubChem CID71741476
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namebenzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC12CCCCN2
InChIInChI=1S/C15H20N2O2/c18-14(19-12-13-6-2-1-3-7-13)17-11-9-15(17)8-4-5-10-16-15/h1-3,6-7,16H,4-5,8-12H2
InChIKeyADVRPMHYMUXPSQ-UHFFFAOYSA-N
XLogP2.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl 1,9-diazaspiro[3.5]nonane-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

benzyl 4,7-diazaspiro[2.5]octane-4-carboxylate;hydrochloride
CID 78357894
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate
CID 22215050
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590
benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate
CID 125421522
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219
benzyl 2-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 141321626
benzyl 2-benzyl-2-but-3-enylpyrrolidine-1-carboxylate
CID 164853611
benzyl 3,3-difluoro-1,8-diazaspiro[3.5]nonane-1-carboxylate;hydrochloride
CID 131871557
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276

Frequently Asked Questions

What is the IUPAC name of benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate?
The IUPAC name of benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate (CID 71741476) is benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate.
What is the SMILES notation for benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate?
The canonical SMILES for benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate is O=C(OCc1ccccc1)N1CCC12CCCCN2.
What is the InChIKey of benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate?
The InChIKey is ADVRPMHYMUXPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14(19-12-13-6-2-1-3-7-13)17-11-9-15(17)8-4-5-10-16-15/h1-3,6-7,16H,4-5,8-12H2.
What are the key properties of benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate?
benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1,9-diazaspiro[3.5]nonane-1-carboxylate is sourced from PubChem (CID 71741476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).