1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide

C23H26F2N2O3 — CID 60611629

IUPAC1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)c1
InChIInChI=1S/C23H26F2N2O3/c1-16-6-4-7-17(14-16)11-12-26-21(28)18-8-5-13-27(15-18)22(29)19-9-2-3-10-20(19)30-23(24)25/h2-4,6-7,9-10,14,18,23H,5,8,11-13,15H2,1H3,(H,26,28)
InChIKeyDAEWNBRUXSYQOI-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.81
Rot. Bonds7

About 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide

1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 60611629) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
PubChem CID60611629
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide
SMILESCc1cccc(CCNC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)c1
InChIInChI=1S/C23H26F2N2O3/c1-16-6-4-7-17(14-16)11-12-26-21(28)18-8-5-13-27(15-18)22(29)19-9-2-3-10-20(19)30-23(24)25/h2-4,6-7,9-10,14,18,23H,5,8,11-13,15H2,1H3,(H,26,28)
InChIKeyDAEWNBRUXSYQOI-UHFFFAOYSA-N
XLogP3.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(difluoromethoxy)benzoyl]-N-[2-(3,5-difluorophenyl)ethyl]piperidine-3-carboxamide
CID 60610187
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
(3S)-1-(2-chlorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 94082313
1-[2-(difluoromethoxy)benzoyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 55640170
methyl 3-[2-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]ethyl]benzoate
CID 97253196
1-[2-(difluoromethoxy)benzoyl]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56568849
1-[2-(difluoromethoxy)benzoyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56557781

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide (CID 60611629) is 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide is Cc1cccc(CCNC(=O)C2CCCN(C(=O)c3ccccc3OC(F)F)C2)c1.
What is the InChIKey of 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is DAEWNBRUXSYQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c1-16-6-4-7-17(14-16)11-12-26-21(28)18-8-5-13-27(15-18)22(29)19-9-2-3-10-20(19)30-23(24)25/h2-4,6-7,9-10,14,18,23H,5,8,11-13,15H2,1H3,(H,26,28).
What are the key properties of 1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide?
1-[2-(difluoromethoxy)benzoyl]-N-[2-(3-methylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 3.81, 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-methylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 60611629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).