1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide

C26H25F2N3O3 — CID 55397745

IUPAC1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C26H25F2N3O3/c27-26(28)34-21-12-10-20(11-13-21)29-23-9-5-4-8-22(23)25(33)31-16-14-18(15-17-31)24(32)30-19-6-2-1-3-7-19/h1-13,18,26,29H,14-17H2,(H,30,32)
InChIKeyDANNNKLXFDAUKW-UHFFFAOYSA-N
MW465.50 g/mol
LogP5.52
Rot. Bonds7

About 1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide

1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 55397745) has the molecular formula C26H25F2N3O3 and a molecular weight of 465.50 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide
PubChem CID55397745
Molecular FormulaC26H25F2N3O3
Molecular Weight465.50 g/mol
Exact Mass465.19
IUPAC Name1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESO=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1
InChIInChI=1S/C26H25F2N3O3/c27-26(28)34-21-12-10-20(11-13-21)29-23-9-5-4-8-22(23)25(33)31-16-14-18(15-17-31)24(32)30-19-6-2-1-3-7-19/h1-13,18,26,29H,14-17H2,(H,30,32)
InChIKeyDANNNKLXFDAUKW-UHFFFAOYSA-N
XLogP5.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.50
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-[4-(difluoromethoxy)anilino]benzoyl]piperidine-4-carboxylate
CID 60605734
(4-aminopiperidin-1-yl)-[2-[4-(difluoromethoxy)anilino]phenyl]methanone;hydrochloride
CID 119373495
1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779
[2-[4-(difluoromethoxy)anilino]phenyl]-(4-ethylpiperazin-1-yl)methanone
CID 134008336
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488520
[2-[4-(difluoromethoxy)anilino]phenyl]-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]methanone
CID 55396603
[2-[4-(difluoromethoxy)anilino]phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
CID 56532436
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
(4-aminopiperidin-1-yl)-(2-anilinophenyl)methanone
CID 119373306
(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid
CID 124688795

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide (CID 55397745) is 1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide is O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is DANNNKLXFDAUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N3O3/c27-26(28)34-21-12-10-20(11-13-21)29-23-9-5-4-8-22(23)25(33)31-16-14-18(15-17-31)24(32)30-19-6-2-1-3-7-19/h1-13,18,26,29H,14-17H2,(H,30,32).
What are the key properties of 1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide?
1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 465.50 g/mol, XLogP of 5.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)anilino]benzoyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 55397745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).