1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione

C15H19FN4O2 — CID 171406445

IUPAC1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESC[C@@H]1CNCCN1c1ccc(N2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C15H19FN4O2/c1-10-9-17-5-7-19(10)11-2-3-13(12(16)8-11)20-6-4-14(21)18-15(20)22/h2-3,8,10,17H,4-7,9H2,1H3,(H,18,21,22)/t10-/m1/s1
InChIKeyQEHXJBIDWONRAS-SNVBAGLBSA-N
MW306.34 g/mol
LogP1.07
Rot. Bonds2

About 1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione

1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 171406445) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID171406445
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESC[C@@H]1CNCCN1c1ccc(N2CCC(=O)NC2=O)c(F)c1
InChIInChI=1S/C15H19FN4O2/c1-10-9-17-5-7-19(10)11-2-3-13(12(16)8-11)20-6-4-14(21)18-15(20)22/h2-3,8,10,17H,4-7,9H2,1H3,(H,18,21,22)/t10-/m1/s1
InChIKeyQEHXJBIDWONRAS-SNVBAGLBSA-N
XLogP1.07
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione (CID 171406445) is 1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione is C[C@@H]1CNCCN1c1ccc(N2CCC(=O)NC2=O)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is QEHXJBIDWONRAS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-10-9-17-5-7-19(10)11-2-3-13(12(16)8-11)20-6-4-14(21)18-15(20)22/h2-3,8,10,17H,4-7,9H2,1H3,(H,18,21,22)/t10-/m1/s1.
What are the key properties of 1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 306.34 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(2R)-2-methylpiperazin-1-yl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171406445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).