3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one

C17H27N3O3 — CID 70748200

IUPAC3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OC
InChIInChI=1S/C17H27N3O3/c1-3-15-18-7-11-19(15)8-4-16(22)20-9-5-17(6-10-20)13(21)12-14(17)23-2/h7,11,13-14,21H,3-6,8-10,12H2,1-2H3/t13-,14+/m1/s1
InChIKeyWRSNOFGSSDLIQZ-KGLIPLIRSA-N
MW321.42 g/mol
LogP1.22
Rot. Bonds5

About 3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one (PubChem CID 70748200) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
PubChem CID70748200
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OC
InChIInChI=1S/C17H27N3O3/c1-3-15-18-7-11-19(15)8-4-16(22)20-9-5-17(6-10-20)13(21)12-14(17)23-2/h7,11,13-14,21H,3-6,8-10,12H2,1-2H3/t13-,14+/m1/s1
InChIKeyWRSNOFGSSDLIQZ-KGLIPLIRSA-N
XLogP1.22
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one (CID 70748200) is 3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one is CCc1nccn1CCC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2OC.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
The InChIKey is WRSNOFGSSDLIQZ-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-3-15-18-7-11-19(15)8-4-16(22)20-9-5-17(6-10-20)13(21)12-14(17)23-2/h7,11,13-14,21H,3-6,8-10,12H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one has a molecular weight of 321.42 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]propan-1-one is sourced from PubChem (CID 70748200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).