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

C18H27ClFN3O3S — CID 120556458

IUPAC1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C18H26FN3O3S.ClH/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);1H
InChIKeyCHKPVBWUVZZXSI-UHFFFAOYSA-N
MW419.95 g/mol
LogP1.76
Rot. Bonds4

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

1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride (PubChem CID 120556458) has the molecular formula C18H27ClFN3O3S and a molecular weight of 419.95 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
PubChem CID120556458
Molecular FormulaC18H27ClFN3O3S
Molecular Weight419.95 g/mol
Exact Mass419.14
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.Cl
InChIInChI=1S/C18H26FN3O3S.ClH/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);1H
InChIKeyCHKPVBWUVZZXSI-UHFFFAOYSA-N
XLogP1.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.95
LogP ≤ 51.76
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
CID 120556459
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-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400137
1-(4-nitrophenyl)sulfonyl-N-piperidin-3-ylpiperidine-3-carboxamide;hydrochloride
CID 119424562
(3S)-N-(1-adamantyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 27650304
(3R)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40961581
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride (CID 120556458) is 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride is CC1CNCCC1NC(=O)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is CHKPVBWUVZZXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O3S.ClH/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);1H.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride?
1-(4-fluorophenyl)sulfonyl-N-(3-methylpiperidin-4-yl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 419.95 g/mol, XLogP of 1.76, 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;hydrochloride is sourced from PubChem (CID 120556458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).