3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione

C24H34N4O4 — CID 24954883

IUPAC3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione
SMILESCCCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCCN3CCCCC3)C1=O)CCO2
InChIInChI=1S/C24H34N4O4/c1-2-15-31-19-8-9-22-20(17-19)21(10-16-32-22)25-28-18-23(29)27(24(28)30)14-7-6-13-26-11-4-3-5-12-26/h8-9,17H,2-7,10-16,18H2,1H3/b25-21+
InChIKeyCGWWYJGUSQNHBU-NJNXFGOHSA-N
MW442.56 g/mol
LogP3.49
Rot. Bonds9

About 3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione

3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione (PubChem CID 24954883) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione
PubChem CID24954883
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione
SMILESCCCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCCN3CCCCC3)C1=O)CCO2
InChIInChI=1S/C24H34N4O4/c1-2-15-31-19-8-9-22-20(17-19)21(10-16-32-22)25-28-18-23(29)27(24(28)30)14-7-6-13-26-11-4-3-5-12-26/h8-9,17H,2-7,10-16,18H2,1H3/b25-21+
InChIKeyCGWWYJGUSQNHBU-NJNXFGOHSA-N
XLogP3.49
TPSA74.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-(6-chloro-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione
CID 24779706
1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
CID 24953812
1-[(E)-(6-chloro-2,3-dihydrochromen-4-ylidene)amino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
CID 24954147
1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 24954152
1-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 24954513
1-[(E)-(6-butoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
CID 24954881
1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione
CID 24954882
1-[(E)-(6-ethoxy-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 44593030
3-[3-(4-methylpiperazin-1-yl)propyl]-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione
CID 44593031
1-[(E)-(6-butoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione
CID 44593314
1-[(E)-(6-chloro-2,3-dihydrochromen-4-ylidene)amino]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 44593045
1-[(E)-(6-methoxy-2,3-dihydrochromen-4-ylidene)amino]-3-(4-piperidin-1-ylbutyl)imidazolidine-2,4-dione
CID 24954150

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione?
The IUPAC name of 3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione (CID 24954883) is 3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione is CCCOc1ccc2c(c1)/C(=N/N1CC(=O)N(CCCCN3CCCCC3)C1=O)CCO2.
What is the InChIKey of 3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione?
The InChIKey is CGWWYJGUSQNHBU-NJNXFGOHSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-2-15-31-19-8-9-22-20(17-19)21(10-16-32-22)25-28-18-23(29)27(24(28)30)14-7-6-13-26-11-4-3-5-12-26/h8-9,17H,2-7,10-16,18H2,1H3/b25-21+.
What are the key properties of 3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione?
3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione has a molecular weight of 442.56 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylbutyl)-1-[(E)-(6-propoxy-2,3-dihydrochromen-4-ylidene)amino]imidazolidine-2,4-dione is sourced from PubChem (CID 24954883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).