1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide

C18H26FN3O3S — CID 120556459

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC1CNCCC1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H26FN3O3S/c1-13-11-20-9-8-17(13)21-18(23)14-3-2-10-22(12-14)26(24,25)16-6-4-15(19)5-7-16/h4-7,13-14,17,20H,2-3,8-12H2,1H3,(H,21,23)
InChIKeyIYLXNNFMNIHULY-UHFFFAOYSA-N
MW383.49 g/mol
LogP1.34
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 120556459) has the molecular formula C18H26FN3O3S and a molecular weight of 383.49 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID120556459
Molecular FormulaC18H26FN3O3S
Molecular Weight383.49 g/mol
Exact Mass383.17
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC1CNCCC1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C18H26FN3O3S/c1-13-11-20-9-8-17(13)21-18(23)14-3-2-10-22(12-14)26(24,25)16-6-4-15(19)5-7-16/h4-7,13-14,17,20H,2-3,8-12H2,1H3,(H,21,23)
InChIKeyIYLXNNFMNIHULY-UHFFFAOYSA-N
XLogP1.34
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
CID 120556458
1-(4-methylphenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
CID 120554823
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R,2S)-2-methylcyclohexyl]piperidine-3-carboxamide
CID 9273373
(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
cis-(1R,3S)-3-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678343
1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119441227
(3S)-N-(1-adamantyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 27650304
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 27539403
1-(4-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119499977
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide (CID 120556459) is 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide is CC1CNCCC1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is IYLXNNFMNIHULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3S/c1-13-11-20-9-8-17(13)21-18(23)14-3-2-10-22(12-14)26(24,25)16-6-4-15(19)5-7-16/h4-7,13-14,17,20H,2-3,8-12H2,1H3,(H,21,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 383.49 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 120556459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).