[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone

C16H22N2O4 — CID 72911491

IUPAC[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccc(CO)n1)CC2
InChIInChI=1S/C16H22N2O4/c1-22-14-9-13(20)16(14)5-7-18(8-6-16)15(21)12-4-2-3-11(10-19)17-12/h2-4,13-14,19-20H,5-10H2,1H3/t13-,14+/m1/s1
InChIKeyXRPDWNFTJMGZSQ-KGLIPLIRSA-N
MW306.36 g/mol
LogP0.58
Rot. Bonds3

About [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone

[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone (PubChem CID 72911491) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
PubChem CID72911491
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccc(CO)n1)CC2
InChIInChI=1S/C16H22N2O4/c1-22-14-9-13(20)16(14)5-7-18(8-6-16)15(21)12-4-2-3-11(10-19)17-12/h2-4,13-14,19-20H,5-10H2,1H3/t13-,14+/m1/s1
InChIKeyXRPDWNFTJMGZSQ-KGLIPLIRSA-N
XLogP0.58
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The IUPAC name of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone (CID 72911491) is [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone.
What is the SMILES notation for [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The canonical SMILES for [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone is CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cccc(CO)n1)CC2.
What is the InChIKey of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
The InChIKey is XRPDWNFTJMGZSQ-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-22-14-9-13(20)16(14)5-7-18(8-6-16)15(21)12-4-2-3-11(10-19)17-12/h2-4,13-14,19-20H,5-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone?
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone has a molecular weight of 306.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[6-(hydroxymethyl)-2-pyridinyl]methanone is sourced from PubChem (CID 72911491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).