(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide

C20H23FN2O4S — CID 100800356

IUPAC(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
SMILESCOc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H23FN2O4S/c1-22(17-6-3-7-18(13-17)27-2)20(24)15-5-4-12-23(14-15)28(25,26)19-10-8-16(21)9-11-19/h3,6-11,13,15H,4-5,12,14H2,1-2H3/t15-/m1/s1
InChIKeyDMGMGPMDTQNPKX-OAHLLOKOSA-N
MW406.48 g/mol
LogP2.90
Rot. Bonds5

About (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide

(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide (PubChem CID 100800356) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
PubChem CID100800356
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
SMILESCOc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C20H23FN2O4S/c1-22(17-6-3-7-18(13-17)27-2)20(24)15-5-4-12-23(14-15)28(25,26)19-10-8-16(21)9-11-19/h3,6-11,13,15H,4-5,12,14H2,1-2H3/t15-/m1/s1
InChIKeyDMGMGPMDTQNPKX-OAHLLOKOSA-N
XLogP2.90
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-fluoro-2-methoxyphenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 133163634
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 125049657
(3-methoxyphenyl)methyl 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate
CID 55414190
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 100800248
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(3-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 100670690
N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 18089319
methyl N-[4-[(3R)-3-[methyl(phenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190338
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3746097
N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 55917708
1-(4-fluorophenyl)sulfonyl-N-[2-(2-methoxyphenoxy)ethyl]-N-methylpiperidine-3-carboxamide
CID 55897208
1-(4-fluorophenyl)sulfonyl-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 133159504
(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 41302466

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide (CID 100800356) is (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide is COc1cccc(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is DMGMGPMDTQNPKX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-22(17-6-3-7-18(13-17)27-2)20(24)15-5-4-12-23(14-15)28(25,26)19-10-8-16(21)9-11-19/h3,6-11,13,15H,4-5,12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 100800356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).