1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione

C18H20FN3O4 — CID 166452647

IUPAC1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(N3CCC(C4OC=CO4)CC3)cc2F)C(=O)N1
InChIInChI=1S/C18H20FN3O4/c19-14-11-13(1-2-15(14)22-8-5-16(23)20-18(22)24)21-6-3-12(4-7-21)17-25-9-10-26-17/h1-2,9-12,17H,3-8H2,(H,20,23,24)
InChIKeyWUCJRAQBHADNES-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.33
Rot. Bonds3

About 1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione

1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione (PubChem CID 166452647) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione
PubChem CID166452647
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(N3CCC(C4OC=CO4)CC3)cc2F)C(=O)N1
InChIInChI=1S/C18H20FN3O4/c19-14-11-13(1-2-15(14)22-8-5-16(23)20-18(22)24)21-6-3-12(4-7-21)17-25-9-10-26-17/h1-2,9-12,17H,3-8H2,(H,20,23,24)
InChIKeyWUCJRAQBHADNES-UHFFFAOYSA-N
XLogP2.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione (CID 166452647) is 1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(N3CCC(C4OC=CO4)CC3)cc2F)C(=O)N1.
What is the InChIKey of 1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione?
The InChIKey is WUCJRAQBHADNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c19-14-11-13(1-2-15(14)22-8-5-16(23)20-18(22)24)21-6-3-12(4-7-21)17-25-9-10-26-17/h1-2,9-12,17H,3-8H2,(H,20,23,24).
What are the key properties of 1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione?
1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione has a molecular weight of 361.37 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,3-dioxol-2-yl)piperidin-1-yl]-2-fluorophenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166452647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).