5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

C24H31N3O4 — CID 45171600

IUPAC5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccc2occ(CN3CCC(C4(CCC(C)C)NC(=O)NC4=O)CC3)c(=O)c2c1
InChIInChI=1S/C24H31N3O4/c1-15(2)6-9-24(22(29)25-23(30)26-24)18-7-10-27(11-8-18)13-17-14-31-20-5-4-16(3)12-19(20)21(17)28/h4-5,12,14-15,18H,6-11,13H2,1-3H3,(H2,25,26,29,30)
InChIKeyGQCKNPSLRJGSIO-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.33
Rot. Bonds6

About 5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione

5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45171600) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45171600
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccc2occ(CN3CCC(C4(CCC(C)C)NC(=O)NC4=O)CC3)c(=O)c2c1
InChIInChI=1S/C24H31N3O4/c1-15(2)6-9-24(22(29)25-23(30)26-24)18-7-10-27(11-8-18)13-17-14-31-20-5-4-16(3)12-19(20)21(17)28/h4-5,12,14-15,18H,6-11,13H2,1-3H3,(H2,25,26,29,30)
InChIKeyGQCKNPSLRJGSIO-UHFFFAOYSA-N
XLogP3.33
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 45171600) is 5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1ccc2occ(CN3CCC(C4(CCC(C)C)NC(=O)NC4=O)CC3)c(=O)c2c1.
What is the InChIKey of 5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is GQCKNPSLRJGSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-15(2)6-9-24(22(29)25-23(30)26-24)18-7-10-27(11-8-18)13-17-14-31-20-5-4-16(3)12-19(20)21(17)28/h4-5,12,14-15,18H,6-11,13H2,1-3H3,(H2,25,26,29,30).
What are the key properties of 5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione?
5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 425.53 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-5-[1-[(6-methyl-4-oxochromen-3-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45171600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).