3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one

C18H33N3O2 — CID 50956532

IUPAC3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
SMILESC[C@@H]1CN(CCC(=O)N2CCC3(CCN(C)CC3)C2)C[C@H](C)O1
InChIInChI=1S/C18H33N3O2/c1-15-12-20(13-16(2)23-15)8-4-17(22)21-11-7-18(14-21)5-9-19(3)10-6-18/h15-16H,4-14H2,1-3H3/t15-,16+
InChIKeyRGRXIJYZMAWXPO-IYBDPMFKSA-N
MW323.48 g/mol
LogP1.43
Rot. Bonds3

About 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one

3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one (PubChem CID 50956532) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
PubChem CID50956532
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one
SMILESC[C@@H]1CN(CCC(=O)N2CCC3(CCN(C)CC3)C2)C[C@H](C)O1
InChIInChI=1S/C18H33N3O2/c1-15-12-20(13-16(2)23-15)8-4-17(22)21-11-7-18(14-21)5-9-19(3)10-6-18/h15-16H,4-14H2,1-3H3/t15-,16+
InChIKeyRGRXIJYZMAWXPO-IYBDPMFKSA-N
XLogP1.43
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one?
The IUPAC name of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one (CID 50956532) is 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one.
What is the SMILES notation for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one?
The canonical SMILES for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one is C[C@@H]1CN(CCC(=O)N2CCC3(CCN(C)CC3)C2)C[C@H](C)O1.
What is the InChIKey of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one?
The InChIKey is RGRXIJYZMAWXPO-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-15-12-20(13-16(2)23-15)8-4-17(22)21-11-7-18(14-21)5-9-19(3)10-6-18/h15-16H,4-14H2,1-3H3/t15-,16+.
What are the key properties of 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one?
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one has a molecular weight of 323.48 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)propan-1-one is sourced from PubChem (CID 50956532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).