1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H17F5N2O3 — CID 55637901

IUPAC1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C16H17F5N2O3/c17-15(18)26-12-6-2-1-5-11(12)14(25)23-7-3-4-10(8-23)13(24)22-9-16(19,20)21/h1-2,5-6,10,15H,3-4,7-9H2,(H,22,24)
InChIKeyMGBBJJIITHBVSA-UHFFFAOYSA-N
MW380.31 g/mol
LogP2.82
Rot. Bonds5

About 1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 55637901) has the molecular formula C16H17F5N2O3 and a molecular weight of 380.31 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID55637901
Molecular FormulaC16H17F5N2O3
Molecular Weight380.31 g/mol
Exact Mass380.12
IUPAC Name1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C16H17F5N2O3/c17-15(18)26-12-6-2-1-5-11(12)14(25)23-7-3-4-10(8-23)13(24)22-9-16(19,20)21/h1-2,5-6,10,15H,3-4,7-9H2,(H,22,24)
InChIKeyMGBBJJIITHBVSA-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
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-methoxypiperidine-3-carboxamide
CID 46416186
1-[2-(difluoromethoxy)benzoyl]-N-(2-methoxy-2-phenylethyl)piperidine-3-carboxamide
CID 60543823
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 60610187
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 60611629
1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56557781
1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide
CID 55637973
N-[1-[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480263
1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 42958498

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 55637901) is 1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is O=C(NCC(F)(F)F)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.
What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is MGBBJJIITHBVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F5N2O3/c17-15(18)26-12-6-2-1-5-11(12)14(25)23-7-3-4-10(8-23)13(24)22-9-16(19,20)21/h1-2,5-6,10,15H,3-4,7-9H2,(H,22,24).
What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 380.31 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55637901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).