1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

C20H22FN3O3 — CID 55808746

IUPAC1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)COc3cccc(F)c3)C2)nc1
InChIInChI=1S/C20H22FN3O3/c1-14-7-8-18(22-11-14)23-20(26)15-4-3-9-24(12-15)19(25)13-27-17-6-2-5-16(21)10-17/h2,5-8,10-11,15H,3-4,9,12-13H2,1H3,(H,22,23,26)
InChIKeyMWZIWAFHRNPXRY-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide

1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 55808746) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID55808746
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(C(=O)COc3cccc(F)c3)C2)nc1
InChIInChI=1S/C20H22FN3O3/c1-14-7-8-18(22-11-14)23-20(26)15-4-3-9-24(12-15)19(25)13-27-17-6-2-5-16(21)10-17/h2,5-8,10-11,15H,3-4,9,12-13H2,1H3,(H,22,23,26)
InChIKeyMWZIWAFHRNPXRY-UHFFFAOYSA-N
XLogP2.79
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-fluorophenyl)acetyl]piperidine-3-carbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55809799
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97252606
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 138996832
3-N-(5-methyl-2-pyridinyl)-1-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 51122140
2-methyl-5-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]benzoic acid
CID 120528905
1-(2-ethoxypyridine-3-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55810089
1-(5-amino-2-methylbenzoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 120643645
4-[[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122021540
2-(3-fluorophenoxy)-1-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97147487
1-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-2-(3-fluorophenoxy)ethanone
CID 125009382
1-(2-amino-3-phenylpropanoyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide;dihydrochloride
CID 119855211

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 55808746) is 1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)COc3cccc(F)c3)C2)nc1.
What is the InChIKey of 1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is MWZIWAFHRNPXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-14-7-8-18(22-11-14)23-20(26)15-4-3-9-24(12-15)19(25)13-27-17-6-2-5-16(21)10-17/h2,5-8,10-11,15H,3-4,9,12-13H2,1H3,(H,22,23,26).
What are the key properties of 1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide?
1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenoxy)acetyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 55808746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).