N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide

C17H22F3N3O3 — CID 124844949

IUPACN-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
SMILESC[C@@H](Oc1ncccc1C(=O)NCCC(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C17H22F3N3O3/c1-12(17(18,19)20)26-16-13(6-5-8-22-16)15(25)21-9-7-14(24)23-10-3-2-4-11-23/h5-6,8,12H,2-4,7,9-11H2,1H3,(H,21,25)/t12-/m1/s1
InChIKeyHCTRHEWLFONSDC-GFCCVEGCSA-N
MW373.38 g/mol
LogP2.54
Rot. Bonds6

About N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide

N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide (PubChem CID 124844949) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
PubChem CID124844949
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC NameN-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
SMILESC[C@@H](Oc1ncccc1C(=O)NCCC(=O)N1CCCCC1)C(F)(F)F
InChIInChI=1S/C17H22F3N3O3/c1-12(17(18,19)20)26-16-13(6-5-8-22-16)15(25)21-9-7-14(24)23-10-3-2-4-11-23/h5-6,8,12H,2-4,7,9-11H2,1H3,(H,21,25)/t12-/m1/s1
InChIKeyHCTRHEWLFONSDC-GFCCVEGCSA-N
XLogP2.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 124848721
2-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxylic acid
CID 66275211
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
2,2-difluoro-N-(3-oxo-3-piperidin-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 75394497
2-iodo-3-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 51118177
2-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 62874653
2,3-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 18157050
N-[3-(azepan-1-yl)-3-oxopropyl]-2,3-dihydroxy-4-methylbenzamide
CID 167804588
N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 17154515
2-(difluoromethoxy)-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 166385426
N-methyl-N-(oxan-4-ylmethyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 99859349
3-(difluoromethoxy)-4-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55803051

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The IUPAC name of N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide (CID 124844949) is N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The canonical SMILES for N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide is C[C@@H](Oc1ncccc1C(=O)NCCC(=O)N1CCCCC1)C(F)(F)F.
What is the InChIKey of N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
The InChIKey is HCTRHEWLFONSDC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-12(17(18,19)20)26-16-13(6-5-8-22-16)15(25)21-9-7-14(24)23-10-3-2-4-11-23/h5-6,8,12H,2-4,7,9-11H2,1H3,(H,21,25)/t12-/m1/s1.
What are the key properties of N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide?
N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-piperidin-1-ylpropyl)-2-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 124844949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).