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

C17H27N3O3 — CID 2701873

IUPAC3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)CC1
InChIInChI=1S/C17H27N3O3/c1-13-6-10-19(11-7-13)14(21)12-20-15(22)17(18-16(20)23)8-4-2-3-5-9-17/h13H,2-12H2,1H3,(H,18,23)
InChIKeyGJJXZHYMNQXCGS-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.89
Rot. Bonds2

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

3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 2701873) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID2701873
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESCC1CCN(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)CC1
InChIInChI=1S/C17H27N3O3/c1-13-6-10-19(11-7-13)14(21)12-20-15(22)17(18-16(20)23)8-4-2-3-5-9-17/h13H,2-12H2,1H3,(H,18,23)
InChIKeyGJJXZHYMNQXCGS-UHFFFAOYSA-N
XLogP1.89
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.89
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-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 2701873) is 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is CC1CCN(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)CC1.
What is the InChIKey of 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is GJJXZHYMNQXCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-13-6-10-19(11-7-13)14(21)12-20-15(22)17(18-16(20)23)8-4-2-3-5-9-17/h13H,2-12H2,1H3,(H,18,23).
What are the key properties of 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 321.42 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 2701873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).