1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one

C18H25NO4 — CID 72856203

IUPAC1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCOc1ccccc1)CC2
InChIInChI=1S/C18H25NO4/c1-22-16-13-15(20)18(16)8-10-19(11-9-18)17(21)7-12-23-14-5-3-2-4-6-14/h2-6,15-16,20H,7-13H2,1H3/t15-,16+/m1/s1
InChIKeyQFJLHBVIEVHNDN-CVEARBPZSA-N
MW319.40 g/mol
LogP1.84
Rot. Bonds5

About 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one

1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one (PubChem CID 72856203) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one
PubChem CID72856203
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one
SMILESCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCOc1ccccc1)CC2
InChIInChI=1S/C18H25NO4/c1-22-16-13-15(20)18(16)8-10-19(11-9-18)17(21)7-12-23-14-5-3-2-4-6-14/h2-6,15-16,20H,7-13H2,1H3/t15-,16+/m1/s1
InChIKeyQFJLHBVIEVHNDN-CVEARBPZSA-N
XLogP1.84
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-4-phenoxybutan-1-one
CID 70787589
1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-pyridin-3-ylpropan-1-one
CID 70772789
1-[4-methyl-4-(methylamino)piperidin-1-yl]-3-phenoxypropan-1-one
CID 115304623
1-[(3S)-3-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 97475871
1-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 131650088
1-[(2S)-2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-phenoxypropan-1-one
CID 97477667
3-phenoxy-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 110817115
1-(4,4-dimethoxypiperidin-1-yl)-4-phenoxybutan-1-one
CID 84579262
4-phenoxy-1-[4-(3-phenoxypropanoyl)piperazin-1-yl]butan-1-one
CID 108536243
1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)-3-phenoxypropan-1-one
CID 112534348
3-ethyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63146290
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-3-(2-methylphenyl)propan-1-one
CID 72849763

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one?
The IUPAC name of 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one (CID 72856203) is 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one.
What is the SMILES notation for 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one?
The canonical SMILES for 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one is CO[C@H]1C[C@@H](O)C12CCN(C(=O)CCOc1ccccc1)CC2.
What is the InChIKey of 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one?
The InChIKey is QFJLHBVIEVHNDN-CVEARBPZSA-N. The full InChI is InChI=1S/C18H25NO4/c1-22-16-13-15(20)18(16)8-10-19(11-9-18)17(21)7-12-23-14-5-3-2-4-6-14/h2-6,15-16,20H,7-13H2,1H3/t15-,16+/m1/s1.
What are the key properties of 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one?
1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one has a molecular weight of 319.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl]-3-phenoxypropan-1-one is sourced from PubChem (CID 72856203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).