1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one

C18H29N3O3 — CID 131684386

IUPAC1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1C(=O)CCC12CCN(C(=O)C1[C@H]3COC[C@@H]13)CC2
InChIInChI=1S/C18H29N3O3/c1-19(2)9-10-21-15(22)3-4-18(21)5-7-20(8-6-18)17(23)16-13-11-24-12-14(13)16/h13-14,16H,3-12H2,1-2H3/t13-,14+,16?
InChIKeyMWYFRSHHJIGBJN-MZBDJJRSSA-N
MW335.45 g/mol
LogP0.42
Rot. Bonds4

About 1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one

1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131684386) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131684386
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCN(C)CCN1C(=O)CCC12CCN(C(=O)C1[C@H]3COC[C@@H]13)CC2
InChIInChI=1S/C18H29N3O3/c1-19(2)9-10-21-15(22)3-4-18(21)5-7-20(8-6-18)17(23)16-13-11-24-12-14(13)16/h13-14,16H,3-12H2,1-2H3/t13-,14+,16?
InChIKeyMWYFRSHHJIGBJN-MZBDJJRSSA-N
XLogP0.42
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131684632
(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97393906
1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131688792
1-[2-(dimethylamino)ethyl]-9-(1H-pyrrole-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155869854
(5S,10R)-10-ethyl-1-methyl-9-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,9-diazaspiro[4.5]decan-2-one
CID 131684137
8-(oxolane-3-carbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131650236
[1-[2-(dimethylamino)ethyl]-1,8-diazaspiro[4.5]decan-8-yl]-(oxolan-2-yl)methanone
CID 134070329
1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134070979
2-ethyl-6-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-2,6-diazaspiro[4.5]decan-3-one
CID 131688663
1-benzyl-8-[(2R)-oxolane-2-carbonyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97397082
1-methyl-8-[2-(oxolan-3-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131932524
8-(4-methylcyclohexanecarbonyl)-1-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684896

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one (CID 131684386) is 1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one is CN(C)CCN1C(=O)CCC12CCN(C(=O)C1[C@H]3COC[C@@H]13)CC2.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is MWYFRSHHJIGBJN-MZBDJJRSSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-19(2)9-10-21-15(22)3-4-18(21)5-7-20(8-6-18)17(23)16-13-11-24-12-14(13)16/h13-14,16H,3-12H2,1-2H3/t13-,14+,16?.
What are the key properties of 1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one?
1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 335.45 g/mol, XLogP of 0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-8-[(1R,5S)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131684386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).