1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one

C16H19FN4O2 — CID 21071220

IUPAC1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one
SMILESCNCc1nccn1-c1ccc(N2CCCC(O)C2=O)c(F)c1
InChIInChI=1S/C16H19FN4O2/c1-18-10-15-19-6-8-20(15)11-4-5-13(12(17)9-11)21-7-2-3-14(22)16(21)23/h4-6,8-9,14,18,22H,2-3,7,10H2,1H3
InChIKeyMNXZKVKKPWOPSJ-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.22
Rot. Bonds4

About 1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one

1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one (PubChem CID 21071220) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one
PubChem CID21071220
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one
SMILESCNCc1nccn1-c1ccc(N2CCCC(O)C2=O)c(F)c1
InChIInChI=1S/C16H19FN4O2/c1-18-10-15-19-6-8-20(15)11-4-5-13(12(17)9-11)21-7-2-3-14(22)16(21)23/h4-6,8-9,14,18,22H,2-3,7,10H2,1H3
InChIKeyMNXZKVKKPWOPSJ-UHFFFAOYSA-N
XLogP1.22
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one (CID 21071220) is 1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one is CNCc1nccn1-c1ccc(N2CCCC(O)C2=O)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one?
The InChIKey is MNXZKVKKPWOPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-18-10-15-19-6-8-20(15)11-4-5-13(12(17)9-11)21-7-2-3-14(22)16(21)23/h4-6,8-9,14,18,22H,2-3,7,10H2,1H3.
What are the key properties of 1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one?
1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one has a molecular weight of 318.35 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[2-(methylaminomethyl)imidazol-1-yl]phenyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 21071220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).