5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione

C19H35N3O3 — CID 47556194

IUPAC5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
SMILESCCCCCCC1(C)NC(=O)N(CC(O)CN2CCC(C)CC2)C1=O
InChIInChI=1S/C19H35N3O3/c1-4-5-6-7-10-19(3)17(24)22(18(25)20-19)14-16(23)13-21-11-8-15(2)9-12-21/h15-16,23H,4-14H2,1-3H3,(H,20,25)
InChIKeyINOBFBWOIAFLGV-UHFFFAOYSA-N
MW353.51 g/mol
LogP2.36
Rot. Bonds9

About 5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione

5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione (PubChem CID 47556194) has the molecular formula C19H35N3O3 and a molecular weight of 353.51 g/mol. Its IUPAC name is 5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
PubChem CID47556194
Molecular FormulaC19H35N3O3
Molecular Weight353.51 g/mol
Exact Mass353.27
IUPAC Name5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
SMILESCCCCCCC1(C)NC(=O)N(CC(O)CN2CCC(C)CC2)C1=O
InChIInChI=1S/C19H35N3O3/c1-4-5-6-7-10-19(3)17(24)22(18(25)20-19)14-16(23)13-21-11-8-15(2)9-12-21/h15-16,23H,4-14H2,1-3H3,(H,20,25)
InChIKeyINOBFBWOIAFLGV-UHFFFAOYSA-N
XLogP2.36
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
5-hexyl-3-(2-hydroxy-3-phenoxypropyl)-5-methylimidazolidine-2,4-dione
CID 18275453
5-(furan-2-yl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556335
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47556184
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 47556168
3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 95390025
3-[3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-heptyl-5-methylimidazolidine-2,4-dione
CID 18227148
5-(2,4-dichlorophenyl)-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 47556171
5-butyl-3-[3-(4-ethylphenoxy)-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 18086975
(5S)-5-butyl-3-[(2R)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 39972624
(5S)-5-butyl-3-[(2S)-3-[(2-chlorophenyl)methoxy]-2-hydroxypropyl]-5-methylimidazolidine-2,4-dione
CID 39972628

Frequently Asked Questions

What is the IUPAC name of 5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione (CID 47556194) is 5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione is CCCCCCC1(C)NC(=O)N(CC(O)CN2CCC(C)CC2)C1=O.
What is the InChIKey of 5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is INOBFBWOIAFLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3/c1-4-5-6-7-10-19(3)17(24)22(18(25)20-19)14-16(23)13-21-11-8-15(2)9-12-21/h15-16,23H,4-14H2,1-3H3,(H,20,25).
What are the key properties of 5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione?
5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 353.51 g/mol, XLogP of 2.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hexyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 47556194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).