3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C18H29N3O3 — CID 4178426

IUPAC3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC1CCCC(C)N1C(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C18H29N3O3/c1-13-8-7-9-14(2)21(13)15(22)12-20-16(23)18(19-17(20)24)10-5-3-4-6-11-18/h13-14H,3-12H2,1-2H3,(H,19,24)
InChIKeyKSAGCWBKKSUUME-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.42
Rot. Bonds2

About 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 4178426) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID4178426
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC1CCCC(C)N1C(=O)CN1C(=O)NC2(CCCCCC2)C1=O
InChIInChI=1S/C18H29N3O3/c1-13-8-7-9-14(2)21(13)15(22)12-20-16(23)18(19-17(20)24)10-5-3-4-6-11-18/h13-14H,3-12H2,1-2H3,(H,19,24)
InChIKeyKSAGCWBKKSUUME-UHFFFAOYSA-N
XLogP2.42
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 4178426) is 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is CC1CCCC(C)N1C(=O)CN1C(=O)NC2(CCCCCC2)C1=O.
What is the InChIKey of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is KSAGCWBKKSUUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13-8-7-9-14(2)21(13)15(22)12-20-16(23)18(19-17(20)24)10-5-3-4-6-11-18/h13-14H,3-12H2,1-2H3,(H,19,24).
What are the key properties of 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 335.45 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 4178426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).