3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione

C19H32N2O3 — CID 110932644

IUPAC3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC1CCN(CC(O)CN2C(=O)CC3(CCCCC3)CC2=O)CC1
InChIInChI=1S/C19H32N2O3/c1-15-5-9-20(10-6-15)13-16(22)14-21-17(23)11-19(12-18(21)24)7-3-2-4-8-19/h15-16,22H,2-14H2,1H3
InChIKeyICNBNFHCPZHEPP-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.18
Rot. Bonds4

About 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione

3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 110932644) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID110932644
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESCC1CCN(CC(O)CN2C(=O)CC3(CCCCC3)CC2=O)CC1
InChIInChI=1S/C19H32N2O3/c1-15-5-9-20(10-6-15)13-16(22)14-21-17(23)11-19(12-18(21)24)7-3-2-4-8-19/h15-16,22H,2-14H2,1H3
InChIKeyICNBNFHCPZHEPP-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione with MolForge

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Related Compounds

2-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.5]decane-1,3-dione
CID 95173000
2-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 60585200
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 47556102
3-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 95582367
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47556184
3-(3-hydroxy-2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 65036014
3-(2-aminopropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 55228574
3-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 51134068
2-[(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)methyl]butanoic acid
CID 65222106
1-(2,6-dimethylthiomorpholin-4-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111477005
1-chloro-3-(4-methylazepan-1-yl)propan-2-ol
CID 112561671
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione (CID 110932644) is 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione is CC1CCN(CC(O)CN2C(=O)CC3(CCCCC3)CC2=O)CC1.
What is the InChIKey of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is ICNBNFHCPZHEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-15-5-9-20(10-6-15)13-16(22)14-21-17(23)11-19(12-18(21)24)7-3-2-4-8-19/h15-16,22H,2-14H2,1H3.
What are the key properties of 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione?
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 336.48 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 110932644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).