3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H37N3O3 — CID 70760970

IUPAC3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CC2(CCN(C(=O)CN3CCCC(C)C3)CC2)OC1=O
InChIInChI=1S/C21H37N3O3/c1-4-18(5-2)14-24-16-21(27-20(24)26)8-11-23(12-9-21)19(25)15-22-10-6-7-17(3)13-22/h17-18H,4-16H2,1-3H3
InChIKeyNROHDOFEWVJKNZ-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.97
Rot. Bonds6

About 3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70760970) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is 3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70760970
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC Name3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCCC(CC)CN1CC2(CCN(C(=O)CN3CCCC(C)C3)CC2)OC1=O
InChIInChI=1S/C21H37N3O3/c1-4-18(5-2)14-24-16-21(27-20(24)26)8-11-23(12-9-21)19(25)15-22-10-6-7-17(3)13-22/h17-18H,4-16H2,1-3H3
InChIKeyNROHDOFEWVJKNZ-UHFFFAOYSA-N
XLogP2.97
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylbutyl)-8-(2-methylsulfanylacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70728710
8-[2-(azepan-1-yl)acetyl]-3-hexyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70744928
1-[2-(3-methylpiperidin-1-yl)acetyl]piperidin-4-one
CID 43229392
3-hexyl-8-[2-(4-hydroxypiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70765516
3-(2-ethylbutyl)-8-[4-(1,2,4-triazol-1-yl)butanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70740333
8-(1,3-dimethylpyrazole-4-carbonyl)-3-(2-ethylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70763598
1-(3-methylpiperidin-1-yl)butan-2-one
CID 62039923
8-[2-(azepan-1-yl)acetyl]-3-[2-[2-methoxyethyl(methyl)amino]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70734112
3-(2-ethylbutyl)-8-(imidazo[1,2-a]pyrimidine-2-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70724447
8-(2-aminoacetyl)-3-[2-[3-(dimethylamino)pyrrolidin-1-yl]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;dihydrochloride
CID 154897303
3-[2-(4-ethylpiperazin-1-yl)ethyl]-8-(2-hydroxyacetyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70727405
1',7-dimethyl-4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]spiro[3H-1,4-benzoxazepine-2,4'-piperidine]-5-one
CID 110213276

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70760970) is 3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCC(CC)CN1CC2(CCN(C(=O)CN3CCCC(C)C3)CC2)OC1=O.
What is the InChIKey of 3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NROHDOFEWVJKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-4-18(5-2)14-24-16-21(27-20(24)26)8-11-23(12-9-21)19(25)15-22-10-6-7-17(3)13-22/h17-18H,4-16H2,1-3H3.
What are the key properties of 3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 379.55 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbutyl)-8-[2-(3-methylpiperidin-1-yl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70760970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).