(3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride

C14H19ClN2O2 — CID 119813649

IUPAC(3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCC3(CCOC3)C2)c1
InChIInChI=1S/C14H18N2O2.ClH/c15-12-3-1-2-11(8-12)13(17)16-6-4-14(9-16)5-7-18-10-14;/h1-3,8H,4-7,9-10,15H2;1H
InChIKeyOORRNWLCDKAFHV-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.94
Rot. Bonds1

About (3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride

(3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride (PubChem CID 119813649) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride
PubChem CID119813649
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride
SMILESCl.Nc1cccc(C(=O)N2CCC3(CCOC3)C2)c1
InChIInChI=1S/C14H18N2O2.ClH/c15-12-3-1-2-11(8-12)13(17)16-6-4-14(9-16)5-7-18-10-14;/h1-3,8H,4-7,9-10,15H2;1H
InChIKeyOORRNWLCDKAFHV-UHFFFAOYSA-N
XLogP1.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze (3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride 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

(3-aminophenyl)-(3,3-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 119734697
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 96539429
7-(2-oxa-7-azaspiro[4.4]nonane-7-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 102559548
(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride
CID 120638264
(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 99697876
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
(3-aminophenyl)-(4,4-dimethylazepan-1-yl)methanone;hydrochloride
CID 119803719
[3-(5-methyltetrazol-1-yl)phenyl]-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97118767
2-oxa-7-azaspiro[4.4]nonan-7-yl(1,2-oxazol-5-yl)methanone
CID 131641455
(2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 84596637
3-[(5R)-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carbonyl]benzonitrile
CID 97471967

Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride?
The IUPAC name of (3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride (CID 119813649) is (3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride is Cl.Nc1cccc(C(=O)N2CCC3(CCOC3)C2)c1.
What is the InChIKey of (3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride?
The InChIKey is OORRNWLCDKAFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2.ClH/c15-12-3-1-2-11(8-12)13(17)16-6-4-14(9-16)5-7-18-10-14;/h1-3,8H,4-7,9-10,15H2;1H.
What are the key properties of (3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride?
(3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride is sourced from PubChem (CID 119813649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).