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

C19H27NO3 — CID 133117281

IUPAC[(1S,3R)-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+/m0/s1
InChIKeyYGXNVXUMUDOLIV-DLBZAZTESA-N
MW317.43 g/mol
LogP2.81
Rot. Bonds3

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

[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone (PubChem CID 133117281) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name[(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone
PubChem CID133117281
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[(1S,3R)-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+/m0/s1
InChIKeyYGXNVXUMUDOLIV-DLBZAZTESA-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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Related Compounds

[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 70729616
1-[4-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonane-7-carbonyl]phenyl]pyrrolidin-2-one
CID 72838464
[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(2-methoxy-4-pyridinyl)methanone
CID 72870237
(3,5-dimethylpiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 4191222
(3-methylazetidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 176864535
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
(4-aminopiperidin-1-yl)-(4-propan-2-ylphenyl)methanone
CID 18071748
(3-chlorophenyl)-(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 111456862
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 55574956
1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-4-phenoxybutan-1-one
CID 70787589
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(3-fluorophenyl)methanone
CID 111456864
6-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]pyridine-2-carboxylic acid
CID 70744567

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone?
The IUPAC name of [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone (CID 133117281) is [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for [(1S,3R)-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 [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone?
The InChIKey is YGXNVXUMUDOLIV-DLBZAZTESA-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+/m0/s1.
What are the key properties of [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone?
[(1S,3R)-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 [(1S,3R)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 133117281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).