1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride

C15H21ClN2O2 — CID 155832204

IUPAC1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C15H20N2O2.ClH/c18-14(13-4-2-1-3-5-13)17-9-6-15(7-10-17)12-16-8-11-19-15;/h1-5,16H,6-12H2;1H
InChIKeyBYDVJNZNJHXMBI-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.70
Rot. Bonds1

About 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride

1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride (PubChem CID 155832204) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride.

Molecular Properties

Compound Name1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride
PubChem CID155832204
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccccc1)N1CCC2(CC1)CNCCO2
InChIInChI=1S/C15H20N2O2.ClH/c18-14(13-4-2-1-3-5-13)17-9-6-15(7-10-17)12-16-8-11-19-15;/h1-5,16H,6-12H2;1H
InChIKeyBYDVJNZNJHXMBI-UHFFFAOYSA-N
XLogP1.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97449214
(2,3-dimethyl-1H-indol-5-yl)-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 136562206
phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110131063
(3R)-3-(1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)-3,4-dihydro-2H-isoquinolin-1-one
CID 126440790
[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone
CID 146040357
[2-(4-fluorophenyl)triazol-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 167800534
9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone
CID 159037732
ethane;phenyl(piperazin-1-yl)methanone
CID 91566193
2,2-dimethylpropyl 1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 163569785
1-oxa-4,9-diazaspiro[5.5]undecane-9-carbaldehyde
CID 89465603
benzyl (4S)-1-oxa-7-azaspiro[3.4]octane-7-carboxylate;methanol;(4S)-1-oxa-7-azaspiro[3.4]octane
CID 157316981
2,7-diazaspiro[3.5]nonan-2-yl(phenyl)methanone;hydrochloride
CID 141390941

Frequently Asked Questions

What is the IUPAC name of 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride?
The IUPAC name of 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride (CID 155832204) is 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride.
What is the SMILES notation for 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride?
The canonical SMILES for 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride is Cl.O=C(c1ccccc1)N1CCC2(CC1)CNCCO2.
What is the InChIKey of 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride?
The InChIKey is BYDVJNZNJHXMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2.ClH/c18-14(13-4-2-1-3-5-13)17-9-6-15(7-10-17)12-16-8-11-19-15;/h1-5,16H,6-12H2;1H.
What are the key properties of 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride?
1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride has a molecular weight of 296.80 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride is sourced from PubChem (CID 155832204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).