[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

C18H28ClN3O4S — CID 119576431

IUPAC[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCNC(C)C3)CC2)cc1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-14-13-20(12-9-19-14)18(22)15-7-10-21(11-8-15)26(23,24)17-5-3-16(25-2)4-6-17;/h3-6,14-15,19H,7-13H2,1-2H3;1H
InChIKeyZUKHAIFSGJHAQK-UHFFFAOYSA-N
MW417.96 g/mol
LogP1.34
Rot. Bonds4

About [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119576431) has the molecular formula C18H28ClN3O4S and a molecular weight of 417.96 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119576431
Molecular FormulaC18H28ClN3O4S
Molecular Weight417.96 g/mol
Exact Mass417.15
IUPAC Name[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCNC(C)C3)CC2)cc1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-14-13-20(12-9-19-14)18(22)15-7-10-21(11-8-15)26(23,24)17-5-3-16(25-2)4-6-17;/h3-6,14-15,19H,7-13H2,1-2H3;1H
InChIKeyZUKHAIFSGJHAQK-UHFFFAOYSA-N
XLogP1.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 119409417
1-(4-methoxyphenyl)sulfonyl-3-methylpiperazine;hydrochloride
CID 119982135
ethyl 4-[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]piperazine-1-carboxylate
CID 1075480
[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-3-ylmethanone;hydrochloride
CID 119678710
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401627
1-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-diazepane
CID 82249735
azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
[1-(4-tert-butylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401603
2-(4-methoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119577033
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119576431) is [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCNC(C)C3)CC2)cc1.Cl.
What is the InChIKey of [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is ZUKHAIFSGJHAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S.ClH/c1-14-13-20(12-9-19-14)18(22)15-7-10-21(11-8-15)26(23,24)17-5-3-16(25-2)4-6-17;/h3-6,14-15,19H,7-13H2,1-2H3;1H.
What are the key properties of [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 417.96 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119576431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).