N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide

C17H21F3N4O3 — CID 166595776

IUPACN-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C2CC(=O)NC(N3CCOCC3C(F)(F)F)C2)ccn1
InChIInChI=1S/C17H21F3N4O3/c1-10(25)22-14-6-11(2-3-21-14)12-7-15(23-16(26)8-12)24-4-5-27-9-13(24)17(18,19)20/h2-3,6,12-13,15H,4-5,7-9H2,1H3,(H,23,26)(H,21,22,25)
InChIKeyLRPDLXCNUDQEDW-UHFFFAOYSA-N
MW386.37 g/mol
LogP1.62
Rot. Bonds3

About N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide

N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide (PubChem CID 166595776) has the molecular formula C17H21F3N4O3 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide
PubChem CID166595776
Molecular FormulaC17H21F3N4O3
Molecular Weight386.37 g/mol
Exact Mass386.16
IUPAC NameN-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C2CC(=O)NC(N3CCOCC3C(F)(F)F)C2)ccn1
InChIInChI=1S/C17H21F3N4O3/c1-10(25)22-14-6-11(2-3-21-14)12-7-15(23-16(26)8-12)24-4-5-27-9-13(24)17(18,19)20/h2-3,6,12-13,15H,4-5,7-9H2,1H3,(H,23,26)(H,21,22,25)
InChIKeyLRPDLXCNUDQEDW-UHFFFAOYSA-N
XLogP1.62
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Incb10820
CID 50992246
(3s,4r,5r)-N-Cyclopropyl-N'-[(2r)-1-Ethoxy-4-Methylpentan-2-Yl]-4-Hydroxy-N-[5-(Propan-2-Yl)pyridin-2-Yl]piperidine-3,5-Dicarboxamide
CID 25143506
5-(2,6-Dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 58508157
(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide
CID 25222059
1-[4-[2-(3,3-Difluoropyrrolidin-1-yl)-6-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyridin-4-yl]piperidin-1-yl]ethanone
CID 90067588
(3S,5R)-5-N-cyclopropyl-3-N-[(2R)-1-ethoxy-4-methylpentan-2-yl]-5-N-(5-propan-2-yl-2-pyridinyl)piperidine-3,5-dicarboxamide;hydrochloride
CID 118709230
ethyl 3,3,3-trifluoro-2-[(5-methylpyridin-2-yl)amino]-N-pentanoylalaninate
CID 659845
4-[[2-Methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide
CID 21099776
2,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)butanamide
CID 24884489
N-(5-ethyl-4-(morpholinomethyl)pyridin-2-yl)-2,2-dimethylbutanamide
CID 24952500
1,2-dimethyl-N-(5-methyl-4-(morpholinomethyl)pyridin-2-yl)cyclohexanecarboxamide
CID 24956045
N-cyclohexyl-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide (CID 166595776) is N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(C2CC(=O)NC(N3CCOCC3C(F)(F)F)C2)ccn1.
What is the InChIKey of N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide?
The InChIKey is LRPDLXCNUDQEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O3/c1-10(25)22-14-6-11(2-3-21-14)12-7-15(23-16(26)8-12)24-4-5-27-9-13(24)17(18,19)20/h2-3,6,12-13,15H,4-5,7-9H2,1H3,(H,23,26)(H,21,22,25).
What are the key properties of N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide?
N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide has a molecular weight of 386.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-6-[3-(trifluoromethyl)morpholin-4-yl]piperidin-4-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 166595776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).