(5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

C17H20FN3O2 — CID 164642377

IUPAC(5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCC[C@H](c2cnn(C)c2)C1
InChIInChI=1S/C17H20FN3O2/c1-20-10-13(9-19-20)12-4-3-7-21(11-12)17(22)15-8-14(18)5-6-16(15)23-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3/t12-/m0/s1
InChIKeySTMDUPKIOPGYME-LBPRGKRZSA-N
MW317.36 g/mol
LogP2.59
Rot. Bonds3

About (5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone

(5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (PubChem CID 164642377) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is (5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
PubChem CID164642377
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Name(5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCC[C@H](c2cnn(C)c2)C1
InChIInChI=1S/C17H20FN3O2/c1-20-10-13(9-19-20)12-4-3-7-21(11-12)17(22)15-8-14(18)5-6-16(15)23-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3/t12-/m0/s1
InChIKeySTMDUPKIOPGYME-LBPRGKRZSA-N
XLogP2.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone (CID 164642377) is (5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is COc1ccc(F)cc1C(=O)N1CCC[C@H](c2cnn(C)c2)C1.
What is the InChIKey of (5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is STMDUPKIOPGYME-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-20-10-13(9-19-20)12-4-3-7-21(11-12)17(22)15-8-14(18)5-6-16(15)23-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone?
(5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 317.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methoxyphenyl)-[(3R)-3-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 164642377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).