1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide

C21H20F5N3O3 — CID 39501753

IUPAC1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccnc(OCC(F)(F)F)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C21H20F5N3O3/c22-15-1-2-16(17(23)10-15)20(31)29-7-4-14(5-8-29)19(30)28-11-13-3-6-27-18(9-13)32-12-21(24,25)26/h1-3,6,9-10,14H,4-5,7-8,11-12H2,(H,28,30)
InChIKeyOYNHXKFXYBVYEB-UHFFFAOYSA-N
MW457.40 g/mol
LogP3.47
Rot. Bonds6

About 1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide (PubChem CID 39501753) has the molecular formula C21H20F5N3O3 and a molecular weight of 457.40 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
PubChem CID39501753
Molecular FormulaC21H20F5N3O3
Molecular Weight457.40 g/mol
Exact Mass457.14
IUPAC Name1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1ccnc(OCC(F)(F)F)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C21H20F5N3O3/c22-15-1-2-16(17(23)10-15)20(31)29-7-4-14(5-8-29)19(30)28-11-13-3-6-27-18(9-13)32-12-21(24,25)26/h1-3,6,9-10,14H,4-5,7-8,11-12H2,(H,28,30)
InChIKeyOYNHXKFXYBVYEB-UHFFFAOYSA-N
XLogP3.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

1-(2,4-difluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 51317056
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
1-(2,4-difluorobenzoyl)-N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 46434484
1-(2,4-difluorobenzoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-4-carboxamide
CID 30992946
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide
CID 178036109
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 55888074
1-(4-acetylphenyl)sulfonyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 39501591
2-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 110014086
1-(2,4-difluorobenzoyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 39002971
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053
N-[(2-methoxy-4-pyridinyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18205211

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide (CID 39501753) is 1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide is O=C(NCc1ccnc(OCC(F)(F)F)c1)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide?
The InChIKey is OYNHXKFXYBVYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F5N3O3/c22-15-1-2-16(17(23)10-15)20(31)29-7-4-14(5-8-29)19(30)28-11-13-3-6-27-18(9-13)32-12-21(24,25)26/h1-3,6,9-10,14H,4-5,7-8,11-12H2,(H,28,30).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide has a molecular weight of 457.40 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 39501753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).