[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone

C19H27NO3 — CID 70765254

IUPAC[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C(C)C)cc1)CC2
InChIInChI=1S/C19H27NO3/c1-13(2)14-4-6-15(7-5-14)18(22)20-10-8-19(9-11-20)16(21)12-17(19)23-3/h4-7,13,16-17,21H,8-12H2,1-3H3/t16-,17+/m1/s1
InChIKeyYGXNVXUMUDOLIV-SJORKVTESA-N
MW317.43 g/mol
LogP2.81
Rot. Bonds3

About [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone

[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 70765254) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID70765254
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C(C)C)cc1)CC2
InChIInChI=1S/C19H27NO3/c1-13(2)14-4-6-15(7-5-14)18(22)20-10-8-19(9-11-20)16(21)12-17(19)23-3/h4-7,13,16-17,21H,8-12H2,1-3H3/t16-,17+/m1/s1
InChIKeyYGXNVXUMUDOLIV-SJORKVTESA-N
XLogP2.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone (CID 70765254) is [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone is CO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C(C)C)cc1)CC2.
What is the InChIKey of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is YGXNVXUMUDOLIV-SJORKVTESA-N. The full InChI is InChI=1S/C19H27NO3/c1-13(2)14-4-6-15(7-5-14)18(22)20-10-8-19(9-11-20)16(21)12-17(19)23-3/h4-7,13,16-17,21H,8-12H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of [(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone?
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone has a molecular weight of 317.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 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]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 70765254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).