1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide

C26H31F2N3O4 — CID 55891201

IUPAC1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1
InChIInChI=1S/C26H31F2N3O4/c1-4-26(2,3)30-23(33)17-11-13-19(14-12-17)29-22(32)18-8-7-15-31(16-18)24(34)20-9-5-6-10-21(20)35-25(27)28/h5-6,9-14,18,25H,4,7-8,15-16H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyPFQXNBOYRDIQTH-UHFFFAOYSA-N
MW487.55 g/mol
LogP4.70
Rot. Bonds8

About 1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide (PubChem CID 55891201) has the molecular formula C26H31F2N3O4 and a molecular weight of 487.55 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
PubChem CID55891201
Molecular FormulaC26H31F2N3O4
Molecular Weight487.55 g/mol
Exact Mass487.23
IUPAC Name1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1
InChIInChI=1S/C26H31F2N3O4/c1-4-26(2,3)30-23(33)17-11-13-19(14-12-17)29-22(32)18-8-7-15-31(16-18)24(34)20-9-5-6-10-21(20)35-25(27)28/h5-6,9-14,18,25H,4,7-8,15-16H2,1-3H3,(H,29,32)(H,30,33)
InChIKeyPFQXNBOYRDIQTH-UHFFFAOYSA-N
XLogP4.70
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide
CID 55637973
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170
1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 42958498
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 119405060
benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate
CID 55638063
1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56568849
3-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]-methylamino]propanoic acid
CID 119233031
ethyl 4-[[1-(2-fluorobenzoyl)piperidine-3-carbonyl]amino]benzoate
CID 50803904
N-(1,3-benzothiazol-2-yl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 46416335

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide (CID 55891201) is 1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)cc1.
What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
The InChIKey is PFQXNBOYRDIQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31F2N3O4/c1-4-26(2,3)30-23(33)17-11-13-19(14-12-17)29-22(32)18-8-7-15-31(16-18)24(34)20-9-5-6-10-21(20)35-25(27)28/h5-6,9-14,18,25H,4,7-8,15-16H2,1-3H3,(H,29,32)(H,30,33).
What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide?
1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide has a molecular weight of 487.55 g/mol, XLogP of 4.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)benzoyl]-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 55891201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).