5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione

C29H40N4O3 — CID 45186464

IUPAC5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(Cc3ccccc3-c3ccco3)CC2)NC(=O)N(CCC2CCCN2C)C1=O
InChIInChI=1S/C29H40N4O3/c1-3-15-29(27(34)33(28(35)30-29)19-14-24-9-6-16-31(24)2)23-12-17-32(18-13-23)21-22-8-4-5-10-25(22)26-11-7-20-36-26/h4-5,7-8,10-11,20,23-24H,3,6,9,12-19,21H2,1-2H3,(H,30,35)
InChIKeyKHKSEKZZYCPILO-UHFFFAOYSA-N
MW492.66 g/mol
LogP4.73
Rot. Bonds9

About 5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione

5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione (PubChem CID 45186464) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is 5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
PubChem CID45186464
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC Name5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(Cc3ccccc3-c3ccco3)CC2)NC(=O)N(CCC2CCCN2C)C1=O
InChIInChI=1S/C29H40N4O3/c1-3-15-29(27(34)33(28(35)30-29)19-14-24-9-6-16-31(24)2)23-12-17-32(18-13-23)21-22-8-4-5-10-25(22)26-11-7-20-36-26/h4-5,7-8,10-11,20,23-24H,3,6,9,12-19,21H2,1-2H3,(H,30,35)
InChIKeyKHKSEKZZYCPILO-UHFFFAOYSA-N
XLogP4.73
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 54.73
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-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione (CID 45186464) is 5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione is CCCC1(C2CCN(Cc3ccccc3-c3ccco3)CC2)NC(=O)N(CCC2CCCN2C)C1=O.
What is the InChIKey of 5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is KHKSEKZZYCPILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O3/c1-3-15-29(27(34)33(28(35)30-29)19-14-24-9-6-16-31(24)2)23-12-17-32(18-13-23)21-22-8-4-5-10-25(22)26-11-7-20-36-26/h4-5,7-8,10-11,20,23-24H,3,6,9,12-19,21H2,1-2H3,(H,30,35).
What are the key properties of 5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 492.66 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[2-(furan-2-yl)phenyl]methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 45186464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).