benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate

C15H20N2O2 — CID 175911999

IUPACbenzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate
SMILESO=C(OCc1ccccc1)C1CCC2(CC1)CNN2
InChIInChI=1S/C15H20N2O2/c18-14(19-10-12-4-2-1-3-5-12)13-6-8-15(9-7-13)11-16-17-15/h1-5,13,16-17H,6-11H2
InChIKeyMZENBQHCQDSMJN-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.77
Rot. Bonds3

About benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate

benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate (PubChem CID 175911999) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate.

Molecular Properties

Compound Namebenzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate
PubChem CID175911999
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Namebenzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate
SMILESO=C(OCc1ccccc1)C1CCC2(CC1)CNN2
InChIInChI=1S/C15H20N2O2/c18-14(19-10-12-4-2-1-3-5-12)13-6-8-15(9-7-13)11-16-17-15/h1-5,13,16-17H,6-11H2
InChIKeyMZENBQHCQDSMJN-UHFFFAOYSA-N
XLogP1.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 66817825
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CID 90178451
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CID 158740080
benzyl 2-oxospiro[3.4]octane-7-carboxylate
CID 178071153
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
benzyl (2S)-2-methylpiperidine-4-carboxylate
CID 58583746
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
dibenzyl bicyclo[2.2.2]octane-2,3-dicarboxylate
CID 90715861
1-O-benzyl 4-O-tert-butyl 1-methylcyclohexane-1,4-dicarboxylate
CID 118208088
trans-(1S,3S)-3-phenylmethoxycarbonylcyclohexane-1-carboxylic acid
CID 68554309
benzyl 1-cyanopiperidine-4-carboxylate
CID 156541326
benzyl 8-hydroxy-8-prop-2-enylcyclopentadecane-1-carboxylate
CID 118601136

Frequently Asked Questions

What is the IUPAC name of benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate?
The IUPAC name of benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate (CID 175911999) is benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate.
What is the SMILES notation for benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate?
The canonical SMILES for benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate is O=C(OCc1ccccc1)C1CCC2(CC1)CNN2.
What is the InChIKey of benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate?
The InChIKey is MZENBQHCQDSMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c18-14(19-10-12-4-2-1-3-5-12)13-6-8-15(9-7-13)11-16-17-15/h1-5,13,16-17H,6-11H2.
What are the key properties of benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate?
benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate is sourced from PubChem (CID 175911999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).