[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride

C18H28ClN3O4S — CID 120616987

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCNCC1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-25-15-18(7-9-19-10-8-18)17(22)20-11-13-21(14-12-20)26(23,24)16-5-3-2-4-6-16;/h2-6,19H,7-15H2,1H3;1H
InChIKeyOLPUUSGQIIFICE-UHFFFAOYSA-N
MW417.96 g/mol
LogP0.96
Rot. Bonds5

About [4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride

[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride (PubChem CID 120616987) has the molecular formula C18H28ClN3O4S and a molecular weight of 417.96 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
PubChem CID120616987
Molecular FormulaC18H28ClN3O4S
Molecular Weight417.96 g/mol
Exact Mass417.15
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
SMILESCOCC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCNCC1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-25-15-18(7-9-19-10-8-18)17(22)20-11-13-21(14-12-20)26(23,24)16-5-3-2-4-6-16;/h2-6,19H,7-15H2,1H3;1H
InChIKeyOLPUUSGQIIFICE-UHFFFAOYSA-N
XLogP0.96
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 120629546
(3-benzylpyrrolidin-1-yl)-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120622597
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120617943
4-(methoxymethyl)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120623903
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;dihydrochloride
CID 120640847
[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;hydrochloride
CID 120620661
[4-(methoxymethyl)piperidin-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 120622590
[4-(methoxymethyl)piperidin-4-yl]-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)methanone;dihydrochloride
CID 120646209
[4-(methoxymethyl)piperidin-4-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 120619182
1H-indol-2-yl-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 120630039
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone
CID 120639402
1-[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 120620516

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride (CID 120616987) is [4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride is COCC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCNCC1.Cl.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
The InChIKey is OLPUUSGQIIFICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S.ClH/c1-25-15-18(7-9-19-10-8-18)17(22)20-11-13-21(14-12-20)26(23,24)16-5-3-2-4-6-16;/h2-6,19H,7-15H2,1H3;1H.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride?
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride has a molecular weight of 417.96 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride is sourced from PubChem (CID 120616987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).