[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone

C16H22N2O3 — CID 97100846

IUPAC[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone
SMILESCCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C16H22N2O3/c1-2-21-14-10-13(19)16(14)5-8-18(9-6-16)15(20)12-4-3-7-17-11-12/h3-4,7,11,13-14,19H,2,5-6,8-10H2,1H3/t13-,14+/m0/s1
InChIKeyRPSUYJZHMYJCRB-UONOGXRCSA-N
MW290.36 g/mol
LogP1.47
Rot. Bonds3

About [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone

[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone (PubChem CID 97100846) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone
PubChem CID97100846
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone
SMILESCCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C16H22N2O3/c1-2-21-14-10-13(19)16(14)5-8-18(9-6-16)15(20)12-4-3-7-17-11-12/h3-4,7,11,13-14,19H,2,5-6,8-10H2,1H3/t13-,14+/m0/s1
InChIKeyRPSUYJZHMYJCRB-UONOGXRCSA-N
XLogP1.47
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone with MolForge

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Related Compounds

(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
(3-chlorophenyl)-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 111456862
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(1-ethylpyrazol-4-yl)methanone
CID 71929955
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70756940
[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 97216035
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indol-6-yl)methanone
CID 97216081
(3-chloro-2-methylphenyl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 124627681
(3-chloro-2-methylphenyl)-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 124627683
[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-ethylthiophen-2-yl)methanone
CID 97216060
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(3-methylfuran-2-yl)methanone
CID 97100801
(5-chlorothiophen-2-yl)-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 97216107

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone (CID 97100846) is [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone is CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cccnc1)CC2.
What is the InChIKey of [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone?
The InChIKey is RPSUYJZHMYJCRB-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-21-14-10-13(19)16(14)5-8-18(9-6-16)15(20)12-4-3-7-17-11-12/h3-4,7,11,13-14,19H,2,5-6,8-10H2,1H3/t13-,14+/m0/s1.
What are the key properties of [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone?
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone has a molecular weight of 290.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 97100846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).