1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one

C18H34N4O2 — CID 131684632

IUPAC1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)N(C)CC(=O)N1CCC2(CCC(=O)N2CCN(C)C)CC1
InChIInChI=1S/C18H34N4O2/c1-15(2)20(5)14-17(24)21-10-8-18(9-11-21)7-6-16(23)22(18)13-12-19(3)4/h15H,6-14H2,1-5H3
InChIKeyAAUVRDISHQSYSB-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.87
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one

1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 131684632) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID131684632
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)N(C)CC(=O)N1CCC2(CCC(=O)N2CCN(C)C)CC1
InChIInChI=1S/C18H34N4O2/c1-15(2)20(5)14-17(24)21-10-8-18(9-11-21)7-6-16(23)22(18)13-12-19(3)4/h15H,6-14H2,1-5H3
InChIKeyAAUVRDISHQSYSB-UHFFFAOYSA-N
XLogP0.87
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

(5S)-1-[2-(dimethylamino)ethyl]-9-(2-methoxyacetyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97393906
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-(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
2-[methyl(propan-2-yl)amino]-1-piperazin-1-ylethanone
CID 24701593
1-(2-methoxyethyl)-2-oxo-N-propan-2-yl-1,9-diazaspiro[4.6]undecane-9-carboxamide
CID 118738797
1-[2-(dimethylamino)ethyl]-9-(6-methoxypyrimidin-4-yl)-1,9-diazaspiro[4.6]undecan-2-one
CID 134070979
8-(3-cyclohexylpropanoyl)-1-methyl-1,8-diazaspiro[4.5]decan-2-one
CID 26347985
N-[7-[2-[methyl(propan-2-yl)amino]acetyl]-7-azaspiro[3.5]nonan-3-yl]-3-phenylpropanamide
CID 131691829
(6R)-8-[2-[methyl(propan-2-yl)amino]acetyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95871259
(11R)-11-hydroxy-11-methoxy-7,15-dimethyl-2-[2-[methyl(propan-2-yl)amino]acetyl]-5-oxa-2,15-diazaspiro[3.12]hexadecane-6,8-dione
CID 174273956
1-(2-methoxyethyl)-8-methylsulfonyl-1,8-diazaspiro[4.5]decan-2-one
CID 97493743

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one (CID 131684632) is 1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one is CC(C)N(C)CC(=O)N1CCC2(CCC(=O)N2CCN(C)C)CC1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AAUVRDISHQSYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-15(2)20(5)14-17(24)21-10-8-18(9-11-21)7-6-16(23)22(18)13-12-19(3)4/h15H,6-14H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one?
1-[2-(dimethylamino)ethyl]-8-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 338.50 g/mol, XLogP of 0.87, 6 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-[2-[methyl(propan-2-yl)amino]acetyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 131684632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).