(2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one

C19H24FN3O2 — CID 124623804

IUPAC(2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCO[C@@](C)(C(=O)N1CCC(c2ccnn2C)CC1)c1ccccc1F
InChIInChI=1S/C19H24FN3O2/c1-19(25-3,15-6-4-5-7-16(15)20)18(24)23-12-9-14(10-13-23)17-8-11-21-22(17)2/h4-8,11,14H,9-10,12-13H2,1-3H3/t19-/m1/s1
InChIKeyFVYVLLLTNAVHTM-LJQANCHMSA-N
MW345.42 g/mol
LogP2.83
Rot. Bonds4

About (2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one

(2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 124623804) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID124623804
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCO[C@@](C)(C(=O)N1CCC(c2ccnn2C)CC1)c1ccccc1F
InChIInChI=1S/C19H24FN3O2/c1-19(25-3,15-6-4-5-7-16(15)20)18(24)23-12-9-14(10-13-23)17-8-11-21-22(17)2/h4-8,11,14H,9-10,12-13H2,1-3H3/t19-/m1/s1
InChIKeyFVYVLLLTNAVHTM-LJQANCHMSA-N
XLogP2.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one (CID 124623804) is (2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one is CO[C@@](C)(C(=O)N1CCC(c2ccnn2C)CC1)c1ccccc1F.
What is the InChIKey of (2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is FVYVLLLTNAVHTM-LJQANCHMSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-19(25-3,15-6-4-5-7-16(15)20)18(24)23-12-9-14(10-13-23)17-8-11-21-22(17)2/h4-8,11,14H,9-10,12-13H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one?
(2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 345.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenyl)-2-methoxy-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124623804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).