5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione

C24H30N4O4 — CID 45176918

IUPAC5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)c3ccoc3C)CC2)NC(=O)N(CCc2ccccn2)C1=O
InChIInChI=1S/C24H30N4O4/c1-3-11-24(18-7-13-27(14-8-18)21(29)20-10-16-32-17(20)2)22(30)28(23(31)26-24)15-9-19-6-4-5-12-25-19/h4-6,10,12,16,18H,3,7-9,11,13-15H2,1-2H3,(H,26,31)
InChIKeyNCCXMOIMEBGKNJ-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.17
Rot. Bonds7

About 5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione

5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 45176918) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
PubChem CID45176918
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)c3ccoc3C)CC2)NC(=O)N(CCc2ccccn2)C1=O
InChIInChI=1S/C24H30N4O4/c1-3-11-24(18-7-13-27(14-8-18)21(29)20-10-16-32-17(20)2)22(30)28(23(31)26-24)15-9-19-6-4-5-12-25-19/h4-6,10,12,16,18H,3,7-9,11,13-15H2,1-2H3,(H,26,31)
InChIKeyNCCXMOIMEBGKNJ-UHFFFAOYSA-N
XLogP3.17
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.17
H-Bond Donors ≤ 51
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-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione (CID 45176918) is 5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione is CCCC1(C2CCN(C(=O)c3ccoc3C)CC2)NC(=O)N(CCc2ccccn2)C1=O.
What is the InChIKey of 5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The InChIKey is NCCXMOIMEBGKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-3-11-24(18-7-13-27(14-8-18)21(29)20-10-16-32-17(20)2)22(30)28(23(31)26-24)15-9-19-6-4-5-12-25-19/h4-6,10,12,16,18H,3,7-9,11,13-15H2,1-2H3,(H,26,31).
What are the key properties of 5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 438.53 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45176918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).