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

C18H32N2O3 — CID 111458851

IUPAC2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCCOC1CC(O)C12CCN(CC(=O)N1CCCCC1C)CC2
InChIInChI=1S/C18H32N2O3/c1-3-23-16-12-15(21)18(16)7-10-19(11-8-18)13-17(22)20-9-5-4-6-14(20)2/h14-16,21H,3-13H2,1-2H3
InChIKeyPEMQVFBOXBOKSN-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.64
Rot. Bonds4

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

2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 111458851) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID111458851
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone
SMILESCCOC1CC(O)C12CCN(CC(=O)N1CCCCC1C)CC2
InChIInChI=1S/C18H32N2O3/c1-3-23-16-12-15(21)18(16)7-10-19(11-8-18)13-17(22)20-9-5-4-6-14(20)2/h14-16,21H,3-13H2,1-2H3
InChIKeyPEMQVFBOXBOKSN-UHFFFAOYSA-N
XLogP1.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111457366
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
N-cyclopropyl-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)acetamide
CID 111457248
2-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 107408374
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
(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
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)hexan-1-one
CID 111456830
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone (CID 111458851) is 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone is CCOC1CC(O)C12CCN(CC(=O)N1CCCCC1C)CC2.
What is the InChIKey of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is PEMQVFBOXBOKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-3-23-16-12-15(21)18(16)7-10-19(11-8-18)13-17(22)20-9-5-4-6-14(20)2/h14-16,21H,3-13H2,1-2H3.
What are the key properties of 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone?
2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 324.47 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 111458851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).