1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide

C19H26F3N3O3 — CID 55718062

IUPAC1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1
InChIInChI=1S/C19H26F3N3O3/c1-2-3-4-9-23-17(27)14-7-11-24(12-8-14)16(26)13-25-10-5-6-15(18(25)28)19(20,21)22/h5-6,10,14H,2-4,7-9,11-13H2,1H3,(H,23,27)
InChIKeyLBUBQDADGIJKAB-UHFFFAOYSA-N
MW401.43 g/mol
LogP2.41
Rot. Bonds7

About 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide

1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55718062) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55718062
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC Name1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1
InChIInChI=1S/C19H26F3N3O3/c1-2-3-4-9-23-17(27)14-7-11-24(12-8-14)16(26)13-25-10-5-6-15(18(25)28)19(20,21)22/h5-6,10,14H,2-4,7-9,11-13H2,1H3,(H,23,27)
InChIKeyLBUBQDADGIJKAB-UHFFFAOYSA-N
XLogP2.41
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(6-oxo-1,6-dihydropyridine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676921
1-(2-methylpropyl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 53506463
N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72046372
N-(1-acetylpiperidin-4-yl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 45807140
1-acetyl-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]piperidine-4-carboxamide
CID 72050206
N-(1-ethyl-6-oxo-3-pyridinyl)-4-(trifluoromethyl)piperidine-2-carboxamide
CID 146323243
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 146323245
N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-3-pyridinyl]-1-pentyl-4-(2-piperidin-4-ylethynyl)azetidine-2-carboxamide
CID 153398011
N-(1-ethyl-6-oxo-3-pyridinyl)-5-(trifluoromethyl)piperidine-2-carboxamide;molecular hydrogen
CID 153398173
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-2-hydroxyisonicotinamide
CID 132227844
N-(2-methylcyclohexyl)-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24243490
1-[2-[2-Oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]piperidine-4-carboxamide
CID 31937890

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide (CID 55718062) is 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)CC1.
What is the InChIKey of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is LBUBQDADGIJKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c1-2-3-4-9-23-17(27)14-7-11-24(12-8-14)16(26)13-25-10-5-6-15(18(25)28)19(20,21)22/h5-6,10,14H,2-4,7-9,11-13H2,1H3,(H,23,27).
What are the key properties of 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide?
1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55718062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).