1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C19H21F2N3O3S — CID 55921499

IUPAC1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)c1
InChIInChI=1S/C19H21F2N3O3S/c1-13-6-9-22-17(12-13)23-18(25)14-7-10-24(11-8-14)15-2-4-16(5-3-15)28(26,27)19(20)21/h2-6,9,12,14,19H,7-8,10-11H2,1H3,(H,22,23,25)
InChIKeyCGZYBDPJKHOFPT-UHFFFAOYSA-N
MW409.46 g/mol
LogP3.24
Rot. Bonds5

About 1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55921499) has the molecular formula C19H21F2N3O3S and a molecular weight of 409.46 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55921499
Molecular FormulaC19H21F2N3O3S
Molecular Weight409.46 g/mol
Exact Mass409.13
IUPAC Name1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)c1
InChIInChI=1S/C19H21F2N3O3S/c1-13-6-9-22-17(12-13)23-18(25)14-7-10-24(11-8-14)15-2-4-16(5-3-15)28(26,27)19(20)21/h2-6,9,12,14,19H,7-8,10-11H2,1H3,(H,22,23,25)
InChIKeyCGZYBDPJKHOFPT-UHFFFAOYSA-N
XLogP3.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 35028092
1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47089927
1-(4-methoxy-3-methylphenyl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55913924
1-[2-[4-(difluoromethoxy)phenyl]acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931889
N-(4-methyl-2-pyridinyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 2315676
N-(4-methyl-2-pyridinyl)-1-[4-(phenylsulfamoyl)benzoyl]piperidine-4-carboxamide
CID 55813137
1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 53085487
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017
N-(4-methyl-2-pyridinyl)-1-(2-oxochromen-6-yl)sulfonylpiperidine-4-carboxamide
CID 55914305
1-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 53106135
N-(4-methyl-2-pyridinyl)-1-(1,3,3-trimethyl-2-oxoindol-5-yl)sulfonylpiperidine-4-carboxamide
CID 22582650
N-(4-methyl-2-pyridinyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947252

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55921499) is 1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)c1.
What is the InChIKey of 1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is CGZYBDPJKHOFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3S/c1-13-6-9-22-17(12-13)23-18(25)14-7-10-24(11-8-14)15-2-4-16(5-3-15)28(26,27)19(20)21/h2-6,9,12,14,19H,7-8,10-11H2,1H3,(H,22,23,25).
What are the key properties of 1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 409.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55921499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).