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

C28H44N4O3 — CID 45239134

IUPAC5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(Cc3cc(C)c(OC)cc3C)CC2)NC(=O)N(CCC2CCCN2C)C1=O
InChIInChI=1S/C28H44N4O3/c1-6-12-28(26(33)32(27(34)29-28)16-11-24-8-7-13-30(24)4)23-9-14-31(15-10-23)19-22-17-21(3)25(35-5)18-20(22)2/h17-18,23-24H,6-16,19H2,1-5H3,(H,29,34)
InChIKeyBNCYAXLSPAJDBI-UHFFFAOYSA-N
MW484.69 g/mol
LogP4.10
Rot. Bonds9

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

5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione (PubChem CID 45239134) has the molecular formula C28H44N4O3 and a molecular weight of 484.69 g/mol. Its IUPAC name is 5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
PubChem CID45239134
Molecular FormulaC28H44N4O3
Molecular Weight484.69 g/mol
Exact Mass484.34
IUPAC Name5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(Cc3cc(C)c(OC)cc3C)CC2)NC(=O)N(CCC2CCCN2C)C1=O
InChIInChI=1S/C28H44N4O3/c1-6-12-28(26(33)32(27(34)29-28)16-11-24-8-7-13-30(24)4)23-9-14-31(15-10-23)19-22-17-21(3)25(35-5)18-20(22)2/h17-18,23-24H,6-16,19H2,1-5H3,(H,29,34)
InChIKeyBNCYAXLSPAJDBI-UHFFFAOYSA-N
XLogP4.10
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.69
LogP ≤ 54.10
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-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione (CID 45239134) is 5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione is CCCC1(C2CCN(Cc3cc(C)c(OC)cc3C)CC2)NC(=O)N(CCC2CCCN2C)C1=O.
What is the InChIKey of 5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is BNCYAXLSPAJDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44N4O3/c1-6-12-28(26(33)32(27(34)29-28)16-11-24-8-7-13-30(24)4)23-9-14-31(15-10-23)19-22-17-21(3)25(35-5)18-20(22)2/h17-18,23-24H,6-16,19H2,1-5H3,(H,29,34).
What are the key properties of 5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione?
5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 484.69 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]-3-[2-(1-methylpyrrolidin-2-yl)ethyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 45239134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).