1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide

C21H23F3N4O3 — CID 55689268

IUPAC1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide
SMILESO=C(NCc1ccnc(OCC(F)(F)F)c1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H23F3N4O3/c22-21(23,24)14-31-18-11-15(8-9-25-18)12-26-19(29)16-5-4-10-28(13-16)20(30)27-17-6-2-1-3-7-17/h1-3,6-9,11,16H,4-5,10,12-14H2,(H,26,29)(H,27,30)
InChIKeyGVOYPFPCRNNGJR-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.58
Rot. Bonds6

About 1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide

1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide (PubChem CID 55689268) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide
PubChem CID55689268
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide
SMILESO=C(NCc1ccnc(OCC(F)(F)F)c1)C1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H23F3N4O3/c22-21(23,24)14-31-18-11-15(8-9-25-18)12-26-19(29)16-5-4-10-28(13-16)20(30)27-17-6-2-1-3-7-17/h1-3,6-9,11,16H,4-5,10,12-14H2,(H,26,29)(H,27,30)
InChIKeyGVOYPFPCRNNGJR-UHFFFAOYSA-N
XLogP3.58
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692
3,3-dimethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 178036152
2-hydroxy-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 110014086
1-N-phenyl-3-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 55711481
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]spiro[2.3]hexane-5-carboxamide
CID 178036109
1-(2,4-difluorobenzoyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-4-carboxamide
CID 39501753
(2R)-2-ethyl-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]morpholine-4-carboxamide
CID 95287089
(3S)-3-N-(furan-2-ylmethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435298
3-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60617850
2-[(3S)-3-fluoropiperidin-1-yl]-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787046
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364
(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806

Frequently Asked Questions

What is the IUPAC name of 1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide (CID 55689268) is 1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide is O=C(NCc1ccnc(OCC(F)(F)F)c1)C1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of 1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide?
The InChIKey is GVOYPFPCRNNGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c22-21(23,24)14-31-18-11-15(8-9-25-18)12-26-19(29)16-5-4-10-28(13-16)20(30)27-17-6-2-1-3-7-17/h1-3,6-9,11,16H,4-5,10,12-14H2,(H,26,29)(H,27,30).
What are the key properties of 1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide?
1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide has a molecular weight of 436.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-phenyl-3-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55689268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).