3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione

C13H22N2O3 — CID 43509729

IUPAC3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1CCCO
InChIInChI=1S/C13H22N2O3/c16-10-6-9-15-11(17)13(14-12(15)18)7-4-2-1-3-5-8-13/h16H,1-10H2,(H,14,18)
InChIKeyMUYYRUOWEVAGSW-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.40
Rot. Bonds3

About 3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 43509729) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID43509729
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESO=C1NC2(CCCCCCC2)C(=O)N1CCCO
InChIInChI=1S/C13H22N2O3/c16-10-6-9-15-11(17)13(14-12(15)18)7-4-2-1-3-5-8-13/h16H,1-10H2,(H,14,18)
InChIKeyMUYYRUOWEVAGSW-UHFFFAOYSA-N
XLogP1.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3-(3-hydroxypropyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509771
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
3-(4-oxopentyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 62019381
3-(4-hydroxybutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849673
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 75481374
5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid
CID 82149052
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 43509729) is 3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione is O=C1NC2(CCCCCCC2)C(=O)N1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is MUYYRUOWEVAGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c16-10-6-9-15-11(17)13(14-12(15)18)7-4-2-1-3-5-8-13/h16H,1-10H2,(H,14,18).
What are the key properties of 3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 254.33 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 43509729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).