6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide

C17H19FN4O3S — CID 95817690

IUPAC6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)ncn1
InChIInChI=1S/C17H19FN4O3S/c1-19-17(23)16-10-15(20-11-21-16)12-5-7-22(8-6-12)26(24,25)14-4-2-3-13(18)9-14/h2-4,9-12H,5-8H2,1H3,(H,19,23)
InChIKeyHSKRSKJQZDJGPK-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.54
Rot. Bonds4

About 6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide

6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide (PubChem CID 95817690) has the molecular formula C17H19FN4O3S and a molecular weight of 378.43 g/mol. Its IUPAC name is 6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide
PubChem CID95817690
Molecular FormulaC17H19FN4O3S
Molecular Weight378.43 g/mol
Exact Mass378.12
IUPAC Name6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide
SMILESCNC(=O)c1cc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)ncn1
InChIInChI=1S/C17H19FN4O3S/c1-19-17(23)16-10-15(20-11-21-16)12-5-7-22(8-6-12)26(24,25)14-4-2-3-13(18)9-14/h2-4,9-12H,5-8H2,1H3,(H,19,23)
InChIKeyHSKRSKJQZDJGPK-UHFFFAOYSA-N
XLogP1.54
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 16775048
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-methylbenzamide
CID 3218818
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-[(3R)-oxan-3-yl]-1,2-oxazole-5-carboxamide
CID 92569564
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 92569566
N-cyclohexyl-4-(3-fluorophenyl)sulfonylpiperazine-1-carboxamide
CID 35398779
(2R)-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide
CID 8966358
N-cyclopropyl-3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]propanamide
CID 91903795
1-(3-fluorophenyl)sulfonyl-N,3-dimethylpiperidin-4-amine
CID 114498866
5-fluoro-1-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]benzotriazole
CID 1469807
N-cyclopropyl-2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 27664766
N-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]acetamide
CID 47304951

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide (CID 95817690) is 6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide is CNC(=O)c1cc(C2CCN(S(=O)(=O)c3cccc(F)c3)CC2)ncn1.
What is the InChIKey of 6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide?
The InChIKey is HSKRSKJQZDJGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3S/c1-19-17(23)16-10-15(20-11-21-16)12-5-7-22(8-6-12)26(24,25)14-4-2-3-13(18)9-14/h2-4,9-12H,5-8H2,1H3,(H,19,23).
What are the key properties of 6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide?
6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 95817690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).