3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one

C17H23NO3 — CID 125140300

IUPAC3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one
SMILESC[C@@H]1OCC[C@]12CN(CCC(=O)c1ccccc1)CCO2
InChIInChI=1S/C17H23NO3/c1-14-17(8-11-20-14)13-18(10-12-21-17)9-7-16(19)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3/t14-,17-/m0/s1
InChIKeyODKVIBDVXJPFSV-YOEHRIQHSA-N
MW289.37 g/mol
LogP2.14
Rot. Bonds4

About 3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one

3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one (PubChem CID 125140300) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one
PubChem CID125140300
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one
SMILESC[C@@H]1OCC[C@]12CN(CCC(=O)c1ccccc1)CCO2
InChIInChI=1S/C17H23NO3/c1-14-17(8-11-20-14)13-18(10-12-21-17)9-7-16(19)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3/t14-,17-/m0/s1
InChIKeyODKVIBDVXJPFSV-YOEHRIQHSA-N
XLogP2.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one with MolForge

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Related Compounds

N-[4-[3-[(1R,5R)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]propylsulfonyl]phenyl]acetamide
CID 129480156
1-phenyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102744768
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
3-(4-methylpiperazin-1-yl)-1-phenylpropan-1-one chloride
CID 21231581
N-methyl-2-(1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]acetamide
CID 155949287
3-(8-azaspiro[4.5]decan-8-yl)-1-phenylpropan-1-one
CID 63160113
3-(4-tert-butylpiperidin-1-yl)-1-phenylpropan-1-one
CID 62614079
3-[(2R)-2-methyl-2-phenylmorpholin-4-yl]propanoic acid
CID 124692793
3-(3-methylpiperidin-1-yl)-1-(4-phenylphenyl)propan-1-one
CID 82051046
4-(2-methyl-1,4-oxazepan-4-yl)-1-phenylbutan-1-one
CID 55153161
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-phenylpropan-1-one
CID 118909812
ethane;1-phenyl-3-thiomorpholin-4-ylpropan-1-one
CID 91194535

Frequently Asked Questions

What is the IUPAC name of 3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one?
The IUPAC name of 3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one (CID 125140300) is 3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one is C[C@@H]1OCC[C@]12CN(CCC(=O)c1ccccc1)CCO2.
What is the InChIKey of 3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one?
The InChIKey is ODKVIBDVXJPFSV-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H23NO3/c1-14-17(8-11-20-14)13-18(10-12-21-17)9-7-16(19)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3/t14-,17-/m0/s1.
What are the key properties of 3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one?
3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one has a molecular weight of 289.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,5S)-1-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 125140300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).