1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

C19H22FN3O3S — CID 78770763

IUPAC1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H22FN3O3S/c1-22(14-15-5-4-10-21-13-15)19(24)16-8-11-23(12-9-16)27(25,26)18-7-3-2-6-17(18)20/h2-7,10,13,16H,8-9,11-12,14H2,1H3
InChIKeyNAJNASBKGRRNBT-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.28
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide

1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (PubChem CID 78770763) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
PubChem CID78770763
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
SMILESCN(Cc1cccnc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C19H22FN3O3S/c1-22(14-15-5-4-10-21-13-15)19(24)16-8-11-23(12-9-16)27(25,26)18-7-3-2-6-17(18)20/h2-7,10,13,16H,8-9,11-12,14H2,1H3
InChIKeyNAJNASBKGRRNBT-UHFFFAOYSA-N
XLogP2.28
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27665709
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(naphthalen-2-ylmethyl)piperidine-4-carboxamide
CID 17493112
N-[(2-chloro-6-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 30278857
N-benzyl-N-methyl-1-(2-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004165
N-[(5-bromo-2-fluorophenyl)methyl]-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 55580678
N-methyl-N-(pyrazin-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 86969259
N-benzyl-1-(2-fluorophenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 26292191
N-cyclohexyl-1-(2-fluorophenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27670600
N-benzyl-1-ethylsulfonyl-N-methylpiperidine-4-carboxamide
CID 17027116
1-(2-cyanophenyl)sulfonyl-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpiperidine-4-carboxamide
CID 27861422
N-[(2-ethoxyphenyl)methyl]-N-methyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 55861405
1-benzyl-N-methyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 78770918

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide (CID 78770763) is 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is CN(Cc1cccnc1)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NAJNASBKGRRNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-22(14-15-5-4-10-21-13-15)19(24)16-8-11-23(12-9-16)27(25,26)18-7-3-2-6-17(18)20/h2-7,10,13,16H,8-9,11-12,14H2,1H3.
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-methyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 78770763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).