1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone

C15H23N3O3 — CID 72890478

IUPAC1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone
SMILESCCc1nccn1CC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C15H23N3O3/c1-2-13-16-5-8-18(13)10-14(21)17-6-3-15(4-7-17)11(19)9-12(15)20/h5,8,11-12,19-20H,2-4,6-7,9-10H2,1H3/t11-,12+
InChIKeyZFCSXNKZASHMTJ-TXEJJXNPSA-N
MW293.37 g/mol
LogP0.18
Rot. Bonds3

About 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone

1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone (PubChem CID 72890478) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone
PubChem CID72890478
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone
SMILESCCc1nccn1CC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O
InChIInChI=1S/C15H23N3O3/c1-2-13-16-5-8-18(13)10-14(21)17-6-3-15(4-7-17)11(19)9-12(15)20/h5,8,11-12,19-20H,2-4,6-7,9-10H2,1H3/t11-,12+
InChIKeyZFCSXNKZASHMTJ-TXEJJXNPSA-N
XLogP0.18
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone 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

(3S*,4R*)-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-4-(hydroxymethyl)-3-piperidinol
CID 56912514
(1R*,3S*)-3-(2-hydroxyethoxy)-7-[4-(1H-imidazol-1-yl)butanoyl]-7-azaspiro[3.5]nonan-1-ol
CID 72941420
[(3S,4S)-3-(dimethylamino)-4-(hydroxymethyl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110197507
(3-Methoxy-7-azaspiro[3.5]nonan-7-yl)-(1-methylimidazol-2-yl)methanone
CID 110197967
N-[1-(3-hydroxycyclobutyl)propyl]-2-(2-methyl-1H-imidazol-1-yl)acetamide
CID 91778032
2-(2-ethyl-1H-imidazol-1-yl)-N-[1-(trans-3-hydroxycyclobutyl)propyl]acetamide
CID 91793853
1-[4-(Hydroxymethyl)-4-(trifluoromethyl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 136566057
3-[(dimethylamino)methyl]-1-[(2-ethyl-1H-imidazol-1-yl)acetyl]-3-piperidinol
CID 56887424
N-methyl-2-(2-methyl-1H-imidazol-1-yl)-N-[(4-methyltetrahydro-2H-pyran-4-yl)methyl]acetamide
CID 91914897
1-(2-Methoxyethoxy)-7-(1-methyl-1H-imidazole-2-carbonyl)-7-azaspiro[3.5]nonane
CID 124045461
1-[3-(2-Hydroxyethyl)piperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 62371106
(1R*,3S*)-7-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 70748200

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone?
The IUPAC name of 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone (CID 72890478) is 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone?
The canonical SMILES for 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone is CCc1nccn1CC(=O)N1CCC2(CC1)[C@H](O)C[C@@H]2O.
What is the InChIKey of 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone?
The InChIKey is ZFCSXNKZASHMTJ-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-13-16-5-8-18(13)10-14(21)17-6-3-15(4-7-17)11(19)9-12(15)20/h5,8,11-12,19-20H,2-4,6-7,9-10H2,1H3/t11-,12+.
What are the key properties of 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone?
1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone has a molecular weight of 293.37 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(2-ethylimidazol-1-yl)ethanone is sourced from PubChem (CID 72890478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).