1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone

C16H22N2O3 — CID 164629747

IUPAC1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC[C@H](O)CC23CCC3)nc1
InChIInChI=1S/C16H22N2O3/c1-21-14-4-3-12(17-11-14)9-15(20)18-8-5-13(19)10-16(18)6-2-7-16/h3-4,11,13,19H,2,5-10H2,1H3/t13-/m0/s1
InChIKeyQRBXWTZOAXESIU-ZDUSSCGKSA-N
MW290.36 g/mol
LogP1.54
Rot. Bonds3

About 1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone

1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone (PubChem CID 164629747) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone
PubChem CID164629747
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC[C@H](O)CC23CCC3)nc1
InChIInChI=1S/C16H22N2O3/c1-21-14-4-3-12(17-11-14)9-15(20)18-8-5-13(19)10-16(18)6-2-7-16/h3-4,11,13,19H,2,5-10H2,1H3/t13-/m0/s1
InChIKeyQRBXWTZOAXESIU-ZDUSSCGKSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone (CID 164629747) is 1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone is COc1ccc(CC(=O)N2CC[C@H](O)CC23CCC3)nc1.
What is the InChIKey of 1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone?
The InChIKey is QRBXWTZOAXESIU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-14-4-3-12(17-11-14)9-15(20)18-8-5-13(19)10-16(18)6-2-7-16/h3-4,11,13,19H,2,5-10H2,1H3/t13-/m0/s1.
What are the key properties of 1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone?
1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone has a molecular weight of 290.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8S)-8-hydroxy-5-azaspiro[3.5]nonan-5-yl]-2-(5-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 164629747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).