4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

C21H25N3O5 — CID 91887156

IUPAC4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccc(C2NC(=O)N(CC(=O)N3CCC(C)CC3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C21H25N3O5/c1-13-7-9-23(10-8-13)17(25)11-24-16-12-29-20(26)18(16)19(22-21(24)27)14-3-5-15(28-2)6-4-14/h3-6,13,19H,7-12H2,1-2H3,(H,22,27)
InChIKeyLZWUDBQBHCAQCO-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.83
Rot. Bonds4

About 4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione

4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (PubChem CID 91887156) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
PubChem CID91887156
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Name4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione
SMILESCOc1ccc(C2NC(=O)N(CC(=O)N3CCC(C)CC3)C3=C2C(=O)OC3)cc1
InChIInChI=1S/C21H25N3O5/c1-13-7-9-23(10-8-13)17(25)11-24-16-12-29-20(26)18(16)19(22-21(24)27)14-3-5-15(28-2)6-4-14/h3-6,13,19H,7-12H2,1-2H3,(H,22,27)
InChIKeyLZWUDBQBHCAQCO-UHFFFAOYSA-N
XLogP1.83
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione (CID 91887156) is 4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is COc1ccc(C2NC(=O)N(CC(=O)N3CCC(C)CC3)C3=C2C(=O)OC3)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
The InChIKey is LZWUDBQBHCAQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-13-7-9-23(10-8-13)17(25)11-24-16-12-29-20(26)18(16)19(22-21(24)27)14-3-5-15(28-2)6-4-14/h3-6,13,19H,7-12H2,1-2H3,(H,22,27).
What are the key properties of 4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione?
4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione has a molecular weight of 399.45 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-4,7-dihydro-3H-furo[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 91887156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).