3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione

C16H25NO3 — CID 106131105

IUPAC3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1CC1CCC(O)C1
InChIInChI=1S/C16H25NO3/c18-13-5-4-12(8-13)11-17-14(19)9-16(10-15(17)20)6-2-1-3-7-16/h12-13,18H,1-11H2
InChIKeyPUEOGDWMYIRHIS-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.25
Rot. Bonds2

About 3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione

3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione (PubChem CID 106131105) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
PubChem CID106131105
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione
SMILESO=C1CC2(CCCCC2)CC(=O)N1CC1CCC(O)C1
InChIInChI=1S/C16H25NO3/c18-13-5-4-12(8-13)11-17-14(19)9-16(10-15(17)20)6-2-1-3-7-16/h12-13,18H,1-11H2
InChIKeyPUEOGDWMYIRHIS-UHFFFAOYSA-N
XLogP2.25
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-hydroxycyclopentyl)methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 106131148
1-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 114147569
2-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)acetic acid
CID 43804746
8-(pyrrolidin-2-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 62540613
3-ethyl-3-azaspiro[5.5]undecane-2,4-dione
CID 19814204
3-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 115455509
3-cyclohexyl-3-azaspiro[5.5]undecane-2,4-dione
CID 125489474
1-[(3-hydroxycyclohexyl)methyl]-3-methylpyrrolidine-2,5-dione
CID 106131586
3-(3-hydroxy-2-methylpropyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 65036014
3-[2-(hydroxymethyl)cyclohexyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 106364743
6-(2,4-dioxo-3-azaspiro[5.5]undecan-3-yl)hexanoic acid
CID 43804742
3-(2-aminocyclopentyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 63252503

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione?
The IUPAC name of 3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione (CID 106131105) is 3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione.
What is the SMILES notation for 3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione?
The canonical SMILES for 3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione is O=C1CC2(CCCCC2)CC(=O)N1CC1CCC(O)C1.
What is the InChIKey of 3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione?
The InChIKey is PUEOGDWMYIRHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c18-13-5-4-12(8-13)11-17-14(19)9-16(10-15(17)20)6-2-1-3-7-16/h12-13,18H,1-11H2.
What are the key properties of 3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione?
3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione has a molecular weight of 279.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxycyclopentyl)methyl]-3-azaspiro[5.5]undecane-2,4-dione is sourced from PubChem (CID 106131105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).