(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride

C17H31ClN2O3 — CID 110027361

IUPAC(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride
SMILESCCOC1CC(O)C12CCN(C(=O)C1(C)CCCCN1)CC2.Cl
InChIInChI=1S/C17H30N2O3.ClH/c1-3-22-14-12-13(20)17(14)7-10-19(11-8-17)15(21)16(2)6-4-5-9-18-16;/h13-14,18,20H,3-12H2,1-2H3;1H
InChIKeyWRXYWBSKFWCWLP-UHFFFAOYSA-N
MW346.90 g/mol
LogP1.72
Rot. Bonds3

About (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride

(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride (PubChem CID 110027361) has the molecular formula C17H31ClN2O3 and a molecular weight of 346.90 g/mol. Its IUPAC name is (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride
PubChem CID110027361
Molecular FormulaC17H31ClN2O3
Molecular Weight346.90 g/mol
Exact Mass346.20
IUPAC Name(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride
SMILESCCOC1CC(O)C12CCN(C(=O)C1(C)CCCCN1)CC2.Cl
InChIInChI=1S/C17H30N2O3.ClH/c1-3-22-14-12-13(20)17(14)7-10-19(11-8-17)15(21)16(2)6-4-5-9-18-16;/h13-14,18,20H,3-12H2,1-2H3;1H
InChIKeyWRXYWBSKFWCWLP-UHFFFAOYSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclopentyl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119367
(1-aminocyclopentyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 125119364
azetidin-1-yl-(2-methylpiperidin-2-yl)methanone
CID 126980517
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone;hydrochloride
CID 120934737
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-2-yl)methanone
CID 104597039
3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 120501516
4-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 120563308
(1S,3R)-3-ethoxyspiro[3.5]nonan-1-ol
CID 95396494
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 111456794
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)hexan-1-one
CID 111456830
(E)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-ethylbut-2-en-1-one
CID 124744176

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride?
The IUPAC name of (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride (CID 110027361) is (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride.
What is the SMILES notation for (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride?
The canonical SMILES for (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride is CCOC1CC(O)C12CCN(C(=O)C1(C)CCCCN1)CC2.Cl.
What is the InChIKey of (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride?
The InChIKey is WRXYWBSKFWCWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3.ClH/c1-3-22-14-12-13(20)17(14)7-10-19(11-8-17)15(21)16(2)6-4-5-9-18-16;/h13-14,18,20H,3-12H2,1-2H3;1H.
What are the key properties of (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride?
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(2-methylpiperidin-2-yl)methanone;hydrochloride is sourced from PubChem (CID 110027361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).