1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one

C19H24FN3O2 — CID 126454145

IUPAC1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN3O2/c1-22-17(10-11-21-22)6-9-19(24)23-12-2-3-15(13-23)14-25-18-7-4-16(20)5-8-18/h4-5,7-8,10-11,15H,2-3,6,9,12-14H2,1H3/t15-/m1/s1
InChIKeyQWHGUIDCFJOPIH-OAHLLOKOSA-N
MW345.42 g/mol
LogP2.81
Rot. Bonds6

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

1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (PubChem CID 126454145) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
PubChem CID126454145
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one
SMILESCn1nccc1CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1
InChIInChI=1S/C19H24FN3O2/c1-22-17(10-11-21-22)6-9-19(24)23-12-2-3-15(13-23)14-25-18-7-4-16(20)5-8-18/h4-5,7-8,10-11,15H,2-3,6,9,12-14H2,1H3/t15-/m1/s1
InChIKeyQWHGUIDCFJOPIH-OAHLLOKOSA-N
XLogP2.81
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 96579568
3-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 70770751
1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70760398
1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 70707433
N-[4-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-4-oxobutyl]acetamide
CID 70767223
3-(2-methylpyrazol-3-yl)-1-[(3R)-3-[(6-methyl-3-pyridinyl)methyl]piperidin-1-yl]propan-1-one
CID 124979678
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 95861803
1-[(3S)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 92555581
3-(2-methylpyrazol-3-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 118740370
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 70719519
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70742706
3-(2-methylpyrazol-3-yl)-1-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]propan-1-one
CID 124989317

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one (CID 126454145) is 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is Cn1nccc1CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
The InChIKey is QWHGUIDCFJOPIH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-22-17(10-11-21-22)6-9-19(24)23-12-2-3-15(13-23)14-25-18-7-4-16(20)5-8-18/h4-5,7-8,10-11,15H,2-3,6,9,12-14H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one?
1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one has a molecular weight of 345.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-(2-methylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 126454145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).