1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione

C16H17F2N3O3 — CID 154738311

IUPAC1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCC1CN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CCC1(F)F
InChIInChI=1S/C16H17F2N3O3/c1-10-8-20(7-6-16(10,17)18)13(22)9-21-12-5-3-2-4-11(12)14(23)19-15(21)24/h2-5,10H,6-9H2,1H3,(H,19,23,24)
InChIKeyIREDXJBHPJJVEN-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.19
Rot. Bonds2

About 1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione

1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 154738311) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID154738311
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCC1CN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CCC1(F)F
InChIInChI=1S/C16H17F2N3O3/c1-10-8-20(7-6-16(10,17)18)13(22)9-21-12-5-3-2-4-11(12)14(23)19-15(21)24/h2-5,10H,6-9H2,1H3,(H,19,23,24)
InChIKeyIREDXJBHPJJVEN-UHFFFAOYSA-N
XLogP1.19
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione (CID 154738311) is 1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione is CC1CN(C(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CCC1(F)F.
What is the InChIKey of 1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is IREDXJBHPJJVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-10-8-20(7-6-16(10,17)18)13(22)9-21-12-5-3-2-4-11(12)14(23)19-15(21)24/h2-5,10H,6-9H2,1H3,(H,19,23,24).
What are the key properties of 1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 337.33 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-difluoro-3-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 154738311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).