1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one

C19H24FN3O2 — CID 95293526

IUPAC1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one
SMILESCc1cc(C)n([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1
InChIInChI=1S/C19H24FN3O2/c1-14-11-15(2)23(21-14)17-6-4-9-22(13-17)19(24)8-10-25-18-7-3-5-16(20)12-18/h3,5,7,11-12,17H,4,6,8-10,13H2,1-2H3/t17-/m0/s1
InChIKeyVXUWEVGSBLQRBB-KRWDZBQOSA-N
MW345.42 g/mol
LogP3.27
Rot. Bonds5

About 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one

1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one (PubChem CID 95293526) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one
PubChem CID95293526
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one
SMILESCc1cc(C)n([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1
InChIInChI=1S/C19H24FN3O2/c1-14-11-15(2)23(21-14)17-6-4-9-22(13-17)19(24)8-10-25-18-7-3-5-16(20)12-18/h3,5,7,11-12,17H,4,6,8-10,13H2,1-2H3/t17-/m0/s1
InChIKeyVXUWEVGSBLQRBB-KRWDZBQOSA-N
XLogP3.27
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one with MolForge

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Related Compounds

1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(4-fluorophenoxy)propan-1-one
CID 95351896
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one
CID 95340546
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
2-[3-(2-aminoethoxy)phenyl]-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 126427678
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95609115
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 95978642
1-[(3R)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 95606708
3-(3-aminophenoxy)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 61090343
1-[3-(bromomethyl)piperidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80660691
(2R)-1-acetyl-4-[3-(3-fluorophenoxy)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124943012

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one?
The IUPAC name of 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one (CID 95293526) is 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one?
The canonical SMILES for 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one is Cc1cc(C)n([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1.
What is the InChIKey of 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one?
The InChIKey is VXUWEVGSBLQRBB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-14-11-15(2)23(21-14)17-6-4-9-22(13-17)19(24)8-10-25-18-7-3-5-16(20)12-18/h3,5,7,11-12,17H,4,6,8-10,13H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one?
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one has a molecular weight of 345.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one is sourced from PubChem (CID 95293526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).