3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

C21H23F2N3O3 — CID 55817620

IUPAC3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)Nc3ccc(OC(F)F)cc3)C2)c1
InChIInChI=1S/C21H23F2N3O3/c1-14-4-2-6-17(12-14)25-21(28)26-11-3-5-15(13-26)19(27)24-16-7-9-18(10-8-16)29-20(22)23/h2,4,6-10,12,15,20H,3,5,11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyWEEFFMUFZLAVLZ-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.48
Rot. Bonds5

About 3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide

3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 55817620) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is 3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
PubChem CID55817620
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC Name3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC(C(=O)Nc3ccc(OC(F)F)cc3)C2)c1
InChIInChI=1S/C21H23F2N3O3/c1-14-4-2-6-17(12-14)25-21(28)26-11-3-5-15(13-26)19(27)24-16-7-9-18(10-8-16)29-20(22)23/h2,4,6-10,12,15,20H,3,5,11,13H2,1H3,(H,24,27)(H,25,28)
InChIKeyWEEFFMUFZLAVLZ-UHFFFAOYSA-N
XLogP4.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
3-N-(2-methoxyphenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817552
1-N-(3-methylphenyl)-3-N-[4-[2-(1,2,4-triazol-1-yl)propanoylamino]phenyl]piperidine-1,3-dicarboxamide
CID 55835452
1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 56684470
(3R)-1-N-(3-methylphenyl)-3-N-(2-phenoxyphenyl)piperidine-1,3-dicarboxamide
CID 52663493
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337
N-[4-(difluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47162409

Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide (CID 55817620) is 3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is Cc1cccc(NC(=O)N2CCCC(C(=O)Nc3ccc(OC(F)F)cc3)C2)c1.
What is the InChIKey of 3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is WEEFFMUFZLAVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-14-4-2-6-17(12-14)25-21(28)26-11-3-5-15(13-26)19(27)24-16-7-9-18(10-8-16)29-20(22)23/h2,4,6-10,12,15,20H,3,5,11,13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide?
3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 403.43 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(difluoromethoxy)phenyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 55817620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).