formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone

C25H25F3N4O3 — CID 143880558

IUPACformamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone
SMILESNC=O.O=C(c1ccc(-c2ccccc2)nc1)N1CCC(Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C24H22F3N3O2.CH3NO/c25-24(26,27)32-21-9-7-19(8-10-21)29-20-12-14-30(15-13-20)23(31)18-6-11-22(28-16-18)17-4-2-1-3-5-17;2-1-3/h1-11,16,20,29H,12-15H2;1H,(H2,2,3)
InChIKeyXHMQZISFFSJAGP-UHFFFAOYSA-N
MW486.49 g/mol
LogP4.47
Rot. Bonds5

About formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone

formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone (PubChem CID 143880558) has the molecular formula C25H25F3N4O3 and a molecular weight of 486.49 g/mol. Its IUPAC name is formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone.

Molecular Properties

Compound Nameformamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone
PubChem CID143880558
Molecular FormulaC25H25F3N4O3
Molecular Weight486.49 g/mol
Exact Mass486.19
IUPAC Nameformamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone
SMILESNC=O.O=C(c1ccc(-c2ccccc2)nc1)N1CCC(Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C24H22F3N3O2.CH3NO/c25-24(26,27)32-21-9-7-19(8-10-21)29-20-12-14-30(15-13-20)23(31)18-6-11-22(28-16-18)17-4-2-1-3-5-17;2-1-3/h1-11,16,20,29H,12-15H2;1H,(H2,2,3)
InChIKeyXHMQZISFFSJAGP-UHFFFAOYSA-N
XLogP4.47
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.49
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(6-phenylpyridine-3-carbonyl)piperazine-1-carbaldehyde
CID 110683635
furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 133489078
2-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]pyrimidine-5-carbaldehyde
CID 121404793
(3-phenyl-1,2-oxazol-5-yl)-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 55646382
1-[1-(4-aminosulfanylbenzoyl)piperidin-4-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 145475102
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 124575485
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
(4-pyrrolidin-1-ylpiperidin-1-yl)-[3-[4-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]phenyl]methanone
CID 59983022
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluoroanilino)piperidin-1-yl]methanone
CID 126782325
[4-[(2R)-2-cyclopropyl-2-hydroxyethyl]piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 97038831
4-anilino-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86855015
(4-pyrimidin-2-ylpiperazin-1-yl)-[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methanone
CID 68702242

Frequently Asked Questions

What is the IUPAC name of formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone?
The IUPAC name of formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone (CID 143880558) is formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone.
What is the SMILES notation for formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone?
The canonical SMILES for formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone is NC=O.O=C(c1ccc(-c2ccccc2)nc1)N1CCC(Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone?
The InChIKey is XHMQZISFFSJAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O2.CH3NO/c25-24(26,27)32-21-9-7-19(8-10-21)29-20-12-14-30(15-13-20)23(31)18-6-11-22(28-16-18)17-4-2-1-3-5-17;2-1-3/h1-11,16,20,29H,12-15H2;1H,(H2,2,3).
What are the key properties of formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone?
formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone has a molecular weight of 486.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;(6-phenyl-3-pyridinyl)-[4-[4-(trifluoromethoxy)anilino]piperidin-1-yl]methanone is sourced from PubChem (CID 143880558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).