2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide

C28H25F2N5O3 — CID 171683593

IUPAC2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)c3cccc(-n4cncn4)c3)CC2)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C28H25F2N5O3/c29-28(30)38-25-7-2-1-6-24(25)26(36)33-22-10-8-19(9-11-22)20-12-14-34(15-13-20)27(37)21-4-3-5-23(16-21)35-18-31-17-32-35/h1-11,16-18,20,28H,12-15H2,(H,33,36)
InChIKeyAOZWLUXRPNXKON-UHFFFAOYSA-N
MW517.54 g/mol
LogP5.14
Rot. Bonds7

About 2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide

2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide (PubChem CID 171683593) has the molecular formula C28H25F2N5O3 and a molecular weight of 517.54 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide
PubChem CID171683593
Molecular FormulaC28H25F2N5O3
Molecular Weight517.54 g/mol
Exact Mass517.19
IUPAC Name2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(C2CCN(C(=O)c3cccc(-n4cncn4)c3)CC2)cc1)c1ccccc1OC(F)F
InChIInChI=1S/C28H25F2N5O3/c29-28(30)38-25-7-2-1-6-24(25)26(36)33-22-10-8-19(9-11-22)20-12-14-34(15-13-20)27(37)21-4-3-5-23(16-21)35-18-31-17-32-35/h1-11,16-18,20,28H,12-15H2,(H,33,36)
InChIKeyAOZWLUXRPNXKON-UHFFFAOYSA-N
XLogP5.14
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]acetamide
CID 171685040
2-(difluoromethoxy)-N-[4-[1-[3-(4-fluoroanilino)-3-oxopropanoyl]piperidin-4-yl]phenyl]benzamide
CID 171682908
2-(difluoromethoxy)-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]benzamide
CID 43064673
N-[4-[1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperidin-4-yl]phenyl]-2-(trifluoromethoxy)benzamide
CID 171683080
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-(difluoromethoxy)benzamide
CID 18084497
(3-pyrazol-1-ylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 70745005
N-[3-(cyclopropylcarbamoyl)phenyl]-2-(difluoromethoxy)benzamide
CID 27447613
2-(difluoromethoxy)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 30857280
N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171681203
[(3R)-3-(methylamino)piperidin-1-yl]-[3-(1,2,4-triazol-1-yl)phenyl]methanone
CID 124587828
N-[3-benzyl-4-(difluoromethoxy)phenyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24533546
methyl 6-[4-[4-([1,2,4]triazolo[1,5-a]pyridine-2-carbonylamino)phenyl]piperidine-1-carbonyl]naphthalene-2-carboxylate
CID 171681800

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide (CID 171683593) is 2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide is O=C(Nc1ccc(C2CCN(C(=O)c3cccc(-n4cncn4)c3)CC2)cc1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide?
The InChIKey is AOZWLUXRPNXKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F2N5O3/c29-28(30)38-25-7-2-1-6-24(25)26(36)33-22-10-8-19(9-11-22)20-12-14-34(15-13-20)27(37)21-4-3-5-23(16-21)35-18-31-17-32-35/h1-11,16-18,20,28H,12-15H2,(H,33,36).
What are the key properties of 2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide?
2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide has a molecular weight of 517.54 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[4-[1-[3-(1,2,4-triazol-1-yl)benzoyl]piperidin-4-yl]phenyl]benzamide is sourced from PubChem (CID 171683593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).