[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C19H27FN2O3S — CID 113003143

IUPAC[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)ccc1F
InChIInChI=1S/C19H27FN2O3S/c1-14-5-9-21(10-6-14)19(23)16-7-11-22(12-8-16)26(24,25)17-3-4-18(20)15(2)13-17/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyKWLRCURUNNLGCO-UHFFFAOYSA-N
MW382.50 g/mol
LogP2.79
Rot. Bonds3

About [1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 113003143) has the molecular formula C19H27FN2O3S and a molecular weight of 382.50 g/mol. Its IUPAC name is [1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID113003143
Molecular FormulaC19H27FN2O3S
Molecular Weight382.50 g/mol
Exact Mass382.17
IUPAC Name[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCc1cc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)ccc1F
InChIInChI=1S/C19H27FN2O3S/c1-14-5-9-21(10-6-14)19(23)16-7-11-22(12-8-16)26(24,25)17-3-4-18(20)15(2)13-17/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyKWLRCURUNNLGCO-UHFFFAOYSA-N
XLogP2.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
CID 113003064
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
1-(4-fluoro-3-methylphenyl)sulfonyl-N,N-dimethylpiperidin-4-amine
CID 110868573
N-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]acetamide
CID 110726948
[5-[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]pyrazolo[1,5-a]pyridin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50848895
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
(4-methylpiperidin-1-yl)-[1-(2,4,6-trichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 55873374
1-(4-fluoro-3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 155823226
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 39633013
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 24667255

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 113003143) is [1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is Cc1cc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)ccc1F.
What is the InChIKey of [1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is KWLRCURUNNLGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O3S/c1-14-5-9-21(10-6-14)19(23)16-7-11-22(12-8-16)26(24,25)17-3-4-18(20)15(2)13-17/h3-4,13-14,16H,5-12H2,1-2H3.
What are the key properties of [1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 382.50 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 113003143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).