1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide

C18H26FN3O3S — CID 119441227

IUPAC1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCNCC1
InChIInChI=1S/C18H26FN3O3S/c1-21(16-8-10-20-11-9-16)18(23)14-3-2-12-22(13-14)26(24,25)17-6-4-15(19)5-7-17/h4-7,14,16,20H,2-3,8-13H2,1H3
InChIKeyVOTPOPFVFXUKOI-UHFFFAOYSA-N
MW383.49 g/mol
LogP1.44
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide (PubChem CID 119441227) has the molecular formula C18H26FN3O3S and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide
PubChem CID119441227
Molecular FormulaC18H26FN3O3S
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide
SMILESCN(C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCNCC1
InChIInChI=1S/C18H26FN3O3S/c1-21(16-8-10-20-11-9-16)18(23)14-3-2-12-22(13-14)26(24,25)17-6-4-15(19)5-7-17/h4-7,14,16,20H,2-3,8-13H2,1H3
InChIKeyVOTPOPFVFXUKOI-UHFFFAOYSA-N
XLogP1.44
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 51617060
1-(benzenesulfonyl)-N-cyclohexyl-N-methylpiperidine-3-carboxamide
CID 134025371
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400137
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide
CID 120556459
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 55407096
1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
CID 120556458
N-ethyl-1-(4-fluorophenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 18089319
(3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 41024792
(3S)-N,N-dimethyl-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156240
(3S)-1-(4-ethoxyphenyl)sulfonyl-N-(4-fluorophenyl)-N-methylpiperidine-3-carboxamide
CID 125049657

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide (CID 119441227) is 1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide is CN(C(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCNCC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide?
The InChIKey is VOTPOPFVFXUKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3S/c1-21(16-8-10-20-11-9-16)18(23)14-3-2-12-22(13-14)26(24,25)17-6-4-15(19)5-7-17/h4-7,14,16,20H,2-3,8-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 119441227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).