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

C24H31N3O4 — CID 45178671

IUPAC5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(CCc2ccc(OC)cc2)C1=O
InChIInChI=1S/C24H31N3O4/c1-3-24(20-9-12-26(13-10-20)16-19-11-15-31-17-19)22(28)27(23(29)25-24)14-8-18-4-6-21(30-2)7-5-18/h4-7,11,15,17,20H,3,8-10,12-14,16H2,1-2H3,(H,25,29)
InChIKeyKVCZDBYQKGSSGU-UHFFFAOYSA-N
MW425.53 g/mol
LogP3.44
Rot. Bonds8

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

5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 45178671) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
PubChem CID45178671
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(CCc2ccc(OC)cc2)C1=O
InChIInChI=1S/C24H31N3O4/c1-3-24(20-9-12-26(13-10-20)16-19-11-15-31-17-19)22(28)27(23(29)25-24)14-8-18-4-6-21(30-2)7-5-18/h4-7,11,15,17,20H,3,8-10,12-14,16H2,1-2H3,(H,25,29)
InChIKeyKVCZDBYQKGSSGU-UHFFFAOYSA-N
XLogP3.44
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 53.44
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-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione (CID 45178671) is 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione is CCC1(C2CCN(Cc3ccoc3)CC2)NC(=O)N(CCc2ccc(OC)cc2)C1=O.
What is the InChIKey of 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is KVCZDBYQKGSSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-3-24(20-9-12-26(13-10-20)16-19-11-15-31-17-19)22(28)27(23(29)25-24)14-8-18-4-6-21(30-2)7-5-18/h4-7,11,15,17,20H,3,8-10,12-14,16H2,1-2H3,(H,25,29).
What are the key properties of 5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione?
5-ethyl-5-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 425.53 g/mol, XLogP of 3.44, 8 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-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45178671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).