1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione

C17H22FN3O3 — CID 166522094

IUPAC1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(N3CCC(CCO)CC3)cc2F)C(=O)N1
InChIInChI=1S/C17H22FN3O3/c18-14-11-13(20-7-3-12(4-8-20)6-10-22)1-2-15(14)21-9-5-16(23)19-17(21)24/h1-2,11-12,22H,3-10H2,(H,19,23,24)
InChIKeyKXDUGNYXEQTSKR-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.87
Rot. Bonds4

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

1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione (PubChem CID 166522094) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is 1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
PubChem CID166522094
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc(N3CCC(CCO)CC3)cc2F)C(=O)N1
InChIInChI=1S/C17H22FN3O3/c18-14-11-13(20-7-3-12(4-8-20)6-10-22)1-2-15(14)21-9-5-16(23)19-17(21)24/h1-2,11-12,22H,3-10H2,(H,19,23,24)
InChIKeyKXDUGNYXEQTSKR-UHFFFAOYSA-N
XLogP1.87
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.87
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-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione (CID 166522094) is 1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc(N3CCC(CCO)CC3)cc2F)C(=O)N1.
What is the InChIKey of 1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is KXDUGNYXEQTSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O3/c18-14-11-13(20-7-3-12(4-8-20)6-10-22)1-2-15(14)21-9-5-16(23)19-17(21)24/h1-2,11-12,22H,3-10H2,(H,19,23,24).
What are the key properties of 1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione?
1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 335.38 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[4-(2-hydroxyethyl)piperidin-1-yl]phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166522094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).