4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one

C19H24FN3O2 — CID 95340546

IUPAC4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one
SMILESCc1nccn1[C@H]1CCCN(C(=O)CCCOc2cccc(F)c2)C1
InChIInChI=1S/C19H24FN3O2/c1-15-21-9-11-23(15)17-6-3-10-22(14-17)19(24)8-4-12-25-18-7-2-5-16(20)13-18/h2,5,7,9,11,13,17H,3-4,6,8,10,12,14H2,1H3/t17-/m0/s1
InChIKeyFWDMCAIXQZTDFH-KRWDZBQOSA-N
MW345.42 g/mol
LogP3.35
Rot. Bonds6

About 4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one

4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one (PubChem CID 95340546) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one
PubChem CID95340546
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one
SMILESCc1nccn1[C@H]1CCCN(C(=O)CCCOc2cccc(F)c2)C1
InChIInChI=1S/C19H24FN3O2/c1-15-21-9-11-23(15)17-6-3-10-22(14-17)19(24)8-4-12-25-18-7-2-5-16(20)13-18/h2,5,7,9,11,13,17H,3-4,6,8,10,12,14H2,1H3/t17-/m0/s1
InChIKeyFWDMCAIXQZTDFH-KRWDZBQOSA-N
XLogP3.35
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 ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95293526
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-4-pyridin-2-ylbutan-1-one
CID 95310251
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
4-(3-fluorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119563084
2-[3-[(3S)-3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]phenoxy]acetamide
CID 95327827
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 95338418
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
(3S)-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-pyrrol-1-ylbutan-1-one
CID 95336243
1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one
CID 95346856
2-cyclopentyloxy-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95329474
3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95323599
2-ethylsulfonyl-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]ethanone
CID 95350950

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one (CID 95340546) is 4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one is Cc1nccn1[C@H]1CCCN(C(=O)CCCOc2cccc(F)c2)C1.
What is the InChIKey of 4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one?
The InChIKey is FWDMCAIXQZTDFH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-15-21-9-11-23(15)17-6-3-10-22(14-17)19(24)8-4-12-25-18-7-2-5-16(20)13-18/h2,5,7,9,11,13,17H,3-4,6,8,10,12,14H2,1H3/t17-/m0/s1.
What are the key properties of 4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one?
4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one has a molecular weight of 345.42 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-1-[(3S)-3-(2-methylimidazol-1-yl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 95340546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).