5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

C21H26N4O3 — CID 45166293

IUPAC5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCCC1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C21H26N4O3/c1-2-21(17-6-10-24(11-7-17)13-16-8-12-28-15-16)19(26)25(20(27)23-21)14-18-5-3-4-9-22-18/h3-5,8-9,12,15,17H,2,6-7,10-11,13-14H2,1H3,(H,23,27)
InChIKeyGTYUUWWECOIHIL-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.79
Rot. Bonds6

About 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 45166293) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID45166293
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCCC1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(Cc2ccccn2)C1=O
InChIInChI=1S/C21H26N4O3/c1-2-21(17-6-10-24(11-7-17)13-16-8-12-28-15-16)19(26)25(20(27)23-21)14-18-5-3-4-9-22-18/h3-5,8-9,12,15,17H,2,6-7,10-11,13-14H2,1H3,(H,23,27)
InChIKeyGTYUUWWECOIHIL-UHFFFAOYSA-N
XLogP2.79
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.79
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-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (CID 45166293) is 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is CCC1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(Cc2ccccn2)C1=O.
What is the InChIKey of 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is GTYUUWWECOIHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-2-21(17-6-10-24(11-7-17)13-16-8-12-28-15-16)19(26)25(20(27)23-21)14-18-5-3-4-9-22-18/h3-5,8-9,12,15,17H,2,6-7,10-11,13-14H2,1H3,(H,23,27).
What are the key properties of 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 382.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45166293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).