2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione

C17H28N2O3 — CID 60585200

IUPAC2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCC1CCN(CC(O)CN2C(=O)CC3(CCCC3)C2=O)CC1
InChIInChI=1S/C17H28N2O3/c1-13-4-8-18(9-5-13)11-14(20)12-19-15(21)10-17(16(19)22)6-2-3-7-17/h13-14,20H,2-12H2,1H3
InChIKeyAFQOZWHLGYRTPZ-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.40
Rot. Bonds4

About 2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione

2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 60585200) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID60585200
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESCC1CCN(CC(O)CN2C(=O)CC3(CCCC3)C2=O)CC1
InChIInChI=1S/C17H28N2O3/c1-13-4-8-18(9-5-13)11-14(20)12-19-15(21)10-17(16(19)22)6-2-3-7-17/h13-14,20H,2-12H2,1H3
InChIKeyAFQOZWHLGYRTPZ-UHFFFAOYSA-N
XLogP1.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione (CID 60585200) is 2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione is CC1CCN(CC(O)CN2C(=O)CC3(CCCC3)C2=O)CC1.
What is the InChIKey of 2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is AFQOZWHLGYRTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-13-4-8-18(9-5-13)11-14(20)12-19-15(21)10-17(16(19)22)6-2-3-7-17/h13-14,20H,2-12H2,1H3.
What are the key properties of 2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 308.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 60585200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).