3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one

C19H24FN3O2 — CID 138997632

IUPAC3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC(c3cc(C)[nH]n3)CC2)c1F
InChIInChI=1S/C19H24FN3O2/c1-13-12-16(22-21-13)14-8-10-23(11-9-14)18(24)7-6-15-4-3-5-17(25-2)19(15)20/h3-5,12,14H,6-11H2,1-2H3,(H,21,22)
InChIKeyJLSVVRGNUPZHHD-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.20
Rot. Bonds5

About 3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one

3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 138997632) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one
PubChem CID138997632
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one
SMILESCOc1cccc(CCC(=O)N2CCC(c3cc(C)[nH]n3)CC2)c1F
InChIInChI=1S/C19H24FN3O2/c1-13-12-16(22-21-13)14-8-10-23(11-9-14)18(24)7-6-15-4-3-5-17(25-2)19(15)20/h3-5,12,14H,6-11H2,1-2H3,(H,21,22)
InChIKeyJLSVVRGNUPZHHD-UHFFFAOYSA-N
XLogP3.20
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-1-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
CID 96514522
4-[(4-fluorophenyl)methyl]-3-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 91890579
1-[3-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-3-oxopropyl]pyridin-2-one
CID 139000061
1-[3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-2-pyridin-2-ylethanone
CID 110261325
4-ethyl-5-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 56754576
1-[(3S)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95831371
2-(2-fluoro-3-methoxyphenyl)-1-(5-methylpyrimidin-2-yl)ethanone
CID 113453750
3-cyclopentyl-1-[3-[5-[(2-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]propan-1-one
CID 127249457
(2,3-dimethoxyphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926795
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one
CID 70713988
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-(2-methoxyphenyl)propan-1-one
CID 112537622
1-[3-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 110261548

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one (CID 138997632) is 3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one is COc1cccc(CCC(=O)N2CCC(c3cc(C)[nH]n3)CC2)c1F.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one?
The InChIKey is JLSVVRGNUPZHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-13-12-16(22-21-13)14-8-10-23(11-9-14)18(24)7-6-15-4-3-5-17(25-2)19(15)20/h3-5,12,14H,6-11H2,1-2H3,(H,21,22).
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one?
3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 345.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)-1-[4-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 138997632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).