4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide

C19H20F2N2O2 — CID 3928894

IUPAC4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20F2N2O2/c20-19(21)25-17-10-4-14(5-11-17)18(24)22-15-6-8-16(9-7-15)23-12-2-1-3-13-23/h4-11,19H,1-3,12-13H2,(H,22,24)
InChIKeyGSMKRDQLKHWQOS-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.53
Rot. Bonds5

About 4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide

4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide (PubChem CID 3928894) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide
PubChem CID3928894
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C19H20F2N2O2/c20-19(21)25-17-10-4-14(5-11-17)18(24)22-15-6-8-16(9-7-15)23-12-2-1-3-13-23/h4-11,19H,1-3,12-13H2,(H,22,24)
InChIKeyGSMKRDQLKHWQOS-UHFFFAOYSA-N
XLogP4.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-(difluoromethoxy)benzoate
CID 7149793
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
N-[4-(difluoromethoxy)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299065
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
4-butoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 2269315
N-(4-piperidin-1-ylphenyl)-4-prop-2-enoxybenzamide
CID 39693235
N-[4-(difluoromethoxy)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 46460027
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide (CID 3928894) is 4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide is O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide?
The InChIKey is GSMKRDQLKHWQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-19(21)25-17-10-4-14(5-11-17)18(24)22-15-6-8-16(9-7-15)23-12-2-1-3-13-23/h4-11,19H,1-3,12-13H2,(H,22,24).
What are the key properties of 4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide?
4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide has a molecular weight of 346.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(4-piperidin-1-ylphenyl)benzamide is sourced from PubChem (CID 3928894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).