1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide

C22H22F4N2O3 — CID 60610187

IUPAC1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cc(F)cc(F)c1)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C22H22F4N2O3/c23-16-10-14(11-17(24)12-16)7-8-27-20(29)15-4-3-9-28(13-15)21(30)18-5-1-2-6-19(18)31-22(25)26/h1-2,5-6,10-12,15,22H,3-4,7-9,13H2,(H,27,29)
InChIKeyLEFGYEDTLBKOEN-UHFFFAOYSA-N
MW438.42 g/mol
LogP3.78
Rot. Bonds7

About 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide (PubChem CID 60610187) has the molecular formula C22H22F4N2O3 and a molecular weight of 438.42 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide
PubChem CID60610187
Molecular FormulaC22H22F4N2O3
Molecular Weight438.42 g/mol
Exact Mass438.16
IUPAC Name1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1cc(F)cc(F)c1)C1CCCN(C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C22H22F4N2O3/c23-16-10-14(11-17(24)12-16)7-8-27-20(29)15-4-3-9-28(13-15)21(30)18-5-1-2-6-19(18)31-22(25)26/h1-2,5-6,10-12,15,22H,3-4,7-9,13H2,(H,27,29)
InChIKeyLEFGYEDTLBKOEN-UHFFFAOYSA-N
XLogP3.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
CID 60611629
N-(3-aminopropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide
CID 119405060
1-[2-(difluoromethoxy)benzoyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55637901
benzyl 2-[[1-[2-(difluoromethoxy)benzoyl]piperidine-3-carbonyl]amino]acetate
CID 55638063
N-(2-amino-2-methylpropyl)-1-[2-(difluoromethoxy)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119626021
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-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56568849
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 46434757
1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56557781
(3S)-1-(2-chlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 94082313

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide (CID 60610187) is 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide is O=C(NCCc1cc(F)cc(F)c1)C1CCCN(C(=O)c2ccccc2OC(F)F)C1.
What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is LEFGYEDTLBKOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N2O3/c23-16-10-14(11-17(24)12-16)7-8-27-20(29)15-4-3-9-28(13-15)21(30)18-5-1-2-6-19(18)31-22(25)26/h1-2,5-6,10-12,15,22H,3-4,7-9,13H2,(H,27,29).
What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide?
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 438.42 g/mol, XLogP of 3.78, 7 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-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 60610187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).