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

C18H32N2O3 — CID 111457366

IUPAC1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
SMILESCCOC1CC(O)C12CCN(CC(=O)N1CCCCCC1)CC2
InChIInChI=1S/C18H32N2O3/c1-2-23-16-13-15(21)18(16)7-11-19(12-8-18)14-17(22)20-9-5-3-4-6-10-20/h15-16,21H,2-14H2,1H3
InChIKeyHRCXGAMPIMDADF-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.64
Rot. Bonds4

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

1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone (PubChem CID 111457366) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
PubChem CID111457366
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
SMILESCCOC1CC(O)C12CCN(CC(=O)N1CCCCCC1)CC2
InChIInChI=1S/C18H32N2O3/c1-2-23-16-13-15(21)18(16)7-11-19(12-8-18)14-17(22)20-9-5-3-4-6-10-20/h15-16,21H,2-14H2,1H3
InChIKeyHRCXGAMPIMDADF-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

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Related Compounds

2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 111458851
N-cyclopropyl-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)acetamide
CID 111457248
(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
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 111456860
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)hexan-1-one
CID 111456830
4-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)pentan-1-one
CID 120563308
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 111456794
(E)-1-[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-ethylbut-2-en-1-one
CID 124744176
1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-ethylbut-2-en-1-one
CID 126799817
2-(2-chlorophenyl)-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 111456899
3-amino-1-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-2-methylbutan-1-one
CID 120501516

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone (CID 111457366) is 1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone is CCOC1CC(O)C12CCN(CC(=O)N1CCCCCC1)CC2.
What is the InChIKey of 1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone?
The InChIKey is HRCXGAMPIMDADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-2-23-16-13-15(21)18(16)7-11-19(12-8-18)14-17(22)20-9-5-3-4-6-10-20/h15-16,21H,2-14H2,1H3.
What are the key properties of 1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone?
1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-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 1-(azepan-1-yl)-2-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone is sourced from PubChem (CID 111457366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).