(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one

C16H29N3O3 — CID 97393906

IUPAC(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCC(=O)N1CCC[C@]2(CCC(=O)N2CCN(C)C)CC1
InChIInChI=1S/C16H29N3O3/c1-17(2)11-12-19-14(20)5-7-16(19)6-4-9-18(10-8-16)15(21)13-22-3/h4-13H2,1-3H3/t16-/m0/s1
InChIKeyRGBXFMHRZLLLBY-INIZCTEOSA-N
MW311.43 g/mol
LogP0.57
Rot. Bonds5

About (5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one

(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 97393906) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is (5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID97393906
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Name(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESCOCC(=O)N1CCC[C@]2(CCC(=O)N2CCN(C)C)CC1
InChIInChI=1S/C16H29N3O3/c1-17(2)11-12-19-14(20)5-7-16(19)6-4-9-18(10-8-16)15(21)13-22-3/h4-13H2,1-3H3/t16-/m0/s1
InChIKeyRGBXFMHRZLLLBY-INIZCTEOSA-N
XLogP0.57
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
1-[2-(dimethylamino)ethyl]-9-(1H-pyrazole-5-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131688792
2-methoxy-1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 127763978
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
1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 118738797
1-[2-(dimethylamino)ethyl]-9-(1H-pyrrole-3-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155869854
1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134070979
8-(2-methoxyacetyl)-1-methyl-1,8-diazaspiro[5.5]undecan-2-one
CID 131663239
(5S)-1-(2-methoxyethyl)-9-(pyrazine-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97484871
(5R)-9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485114
2-(dimethylamino)-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 56751090
9-(2-methoxyacetyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131652556

Frequently Asked Questions

What is the IUPAC name of (5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 97393906) is (5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one is COCC(=O)N1CCC[C@]2(CCC(=O)N2CCN(C)C)CC1.
What is the InChIKey of (5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is RGBXFMHRZLLLBY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-17(2)11-12-19-14(20)5-7-16(19)6-4-9-18(10-8-16)15(21)13-22-3/h4-13H2,1-3H3/t16-/m0/s1.
What are the key properties of (5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one?
(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 311.43 g/mol, XLogP of 0.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 97393906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).