[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone

C16H22N2O3 — CID 70714072

IUPAC[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone
SMILESCCc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)ccn1
InChIInChI=1S/C16H22N2O3/c1-2-12-9-11(3-6-17-12)15(21)18-7-4-16(5-8-18)13(19)10-14(16)20/h3,6,9,13-14,19-20H,2,4-5,7-8,10H2,1H3/t13-,14+
InChIKeyUPWZDEZDWBHKRF-OKILXGFUSA-N
MW290.36 g/mol
LogP0.99
Rot. Bonds2

About [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone

[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone (PubChem CID 70714072) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone
PubChem CID70714072
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone
SMILESCCc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)ccn1
InChIInChI=1S/C16H22N2O3/c1-2-12-9-11(3-6-17-12)15(21)18-7-4-16(5-8-18)13(19)10-14(16)20/h3,6,9,13-14,19-20H,2,4-5,7-8,10H2,1H3/t13-,14+
InChIKeyUPWZDEZDWBHKRF-OKILXGFUSA-N
XLogP0.99
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone with MolForge

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Related Compounds

[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70756940
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72870237
(2-ethyl-4-pyridinyl)-[(3R,5R)-3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 70708555
2-ethylpyridine-4-carbonyl chloride
CID 45081393
[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475
[2-(aminomethyl)-4-pyridinyl]-(azocan-1-yl)methanone
CID 114325572
(2-ethyl-4-pyridinyl)-[4-(4-methylpyrazolidin-3-yl)piperidin-1-yl]methanone
CID 133267791
(1S,5R)-3-(2-ethylpyridine-4-carbonyl)-6-(3-methylbut-2-enyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70713239
(2-ethyl-4-pyridinyl)-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]methanone
CID 56913190
(2-ethyl-4-pyridinyl)-[(2R)-2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]methanone
CID 97123855
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
(2-ethyl-4-pyridinyl)-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]methanone
CID 56723097

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone?
The IUPAC name of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone (CID 70714072) is [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone.
What is the SMILES notation for [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone?
The canonical SMILES for [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone is CCc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3O)ccn1.
What is the InChIKey of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone?
The InChIKey is UPWZDEZDWBHKRF-OKILXGFUSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-12-9-11(3-6-17-12)15(21)18-7-4-16(5-8-18)13(19)10-14(16)20/h3,6,9,13-14,19-20H,2,4-5,7-8,10H2,1H3/t13-,14+.
What are the key properties of [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone?
[(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone has a molecular weight of 290.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-ethyl-4-pyridinyl)methanone is sourced from PubChem (CID 70714072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).