1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide

C15H18F2N2O4 — CID 46416186

IUPAC1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
SMILESCONC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C15H18F2N2O4/c1-22-18-13(20)10-5-4-8-19(9-10)14(21)11-6-2-3-7-12(11)23-15(16)17/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,18,20)
InChIKeyJOZGIQOQJDZGPL-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.82
Rot. Bonds5

About 1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide (PubChem CID 46416186) has the molecular formula C15H18F2N2O4 and a molecular weight of 328.31 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
PubChem CID46416186
Molecular FormulaC15H18F2N2O4
Molecular Weight328.31 g/mol
Exact Mass328.12
IUPAC Name1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
SMILESCONC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C15H18F2N2O4/c1-22-18-13(20)10-5-4-8-19(9-10)14(21)11-6-2-3-7-12(11)23-15(16)17/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,18,20)
InChIKeyJOZGIQOQJDZGPL-UHFFFAOYSA-N
XLogP1.82
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
1-[2-(difluoromethoxy)benzoyl]-N-(2-methoxy-2-phenylethyl)piperidine-3-carboxamide
CID 60543823
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 119405060
1-[2-(difluoromethoxy)benzoyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]piperidine-3-carboxamide
CID 55637973
1-[2-(difluoromethoxy)benzoyl]-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 42958498
benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate
CID 55638063
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
N-[1-[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46480263
1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56568849
N-[1-(3,4-dichlorophenyl)ethyl]-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 55640113

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide (CID 46416186) is 1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide is CONC(=O)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.
What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide?
The InChIKey is JOZGIQOQJDZGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O4/c1-22-18-13(20)10-5-4-8-19(9-10)14(21)11-6-2-3-7-12(11)23-15(16)17/h2-3,6-7,10,15H,4-5,8-9H2,1H3,(H,18,20).
What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide?
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide has a molecular weight of 328.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide is sourced from PubChem (CID 46416186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).