[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride

C16H23ClFN3O3S — CID 119400137

IUPAC[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCNCC1
InChIInChI=1S/C16H22FN3O3S.ClH/c17-14-3-5-15(6-4-14)24(22,23)20-9-1-2-13(12-20)16(21)19-10-7-18-8-11-19;/h3-6,13,18H,1-2,7-12H2;1H
InChIKeyGPEOEGRWMSWJRN-UHFFFAOYSA-N
MW391.90 g/mol
LogP1.08
Rot. Bonds3

About [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride

[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride (PubChem CID 119400137) has the molecular formula C16H23ClFN3O3S and a molecular weight of 391.90 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
PubChem CID119400137
Molecular FormulaC16H23ClFN3O3S
Molecular Weight391.90 g/mol
Exact Mass391.11
IUPAC Name[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride
SMILESCl.O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCNCC1
InChIInChI=1S/C16H22FN3O3S.ClH/c17-14-3-5-15(6-4-14)24(22,23)20-9-1-2-13(12-20)16(21)19-10-7-18-8-11-19;/h3-6,13,18H,1-2,7-12H2;1H
InChIKeyGPEOEGRWMSWJRN-UHFFFAOYSA-N
XLogP1.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
[1-[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 55406673
methyl 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40947352
N,N-diethyl-4-[(3R)-3-(piperazine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 162365430
morpholin-4-yl-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-3-yl]methanone
CID 16605464
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
cyclohexyl-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31667720
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 2967478
(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone
CID 110246552
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489
1-(4-fluorophenyl)sulfonyl-N-methyl-N-piperidin-4-ylpiperidine-3-carboxamide
CID 119441227

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The IUPAC name of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride (CID 119400137) is [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The canonical SMILES for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride is Cl.O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCNCC1.
What is the InChIKey of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
The InChIKey is GPEOEGRWMSWJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O3S.ClH/c17-14-3-5-15(6-4-14)24(22,23)20-9-1-2-13(12-20)16(21)19-10-7-18-8-11-19;/h3-6,13,18H,1-2,7-12H2;1H.
What are the key properties of [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride?
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-piperazin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 119400137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).