2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride

C17H27ClN4O3S — CID 119908256

IUPAC2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C17H26N4O3S.ClH/c18-15-6-8-19(9-7-15)14-17(22)20-10-12-21(13-11-20)25(23,24)16-4-2-1-3-5-16;/h1-5,15H,6-14,18H2;1H
InChIKeyDYFXPAPEMCYZFW-UHFFFAOYSA-N
MW402.95 g/mol
LogP0.36
Rot. Bonds4

About 2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride

2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 119908256) has the molecular formula C17H27ClN4O3S and a molecular weight of 402.95 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID119908256
Molecular FormulaC17H27ClN4O3S
Molecular Weight402.95 g/mol
Exact Mass402.15
IUPAC Name2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
InChIInChI=1S/C17H26N4O3S.ClH/c18-15-6-8-19(9-7-15)14-17(22)20-10-12-21(13-11-20)25(23,24)16-4-2-1-3-5-16;/h1-5,15H,6-14,18H2;1H
InChIKeyDYFXPAPEMCYZFW-UHFFFAOYSA-N
XLogP0.36
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.95
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

ethyl 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 8931140
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone;dihydrochloride
CID 119423255
1-[4-(benzenesulfonyl)piperazin-1-yl]-3,3-dicyclopropylpropan-1-one
CID 48571952
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
CID 2595436
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 26865936
2-amino-1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]ethanone
CID 98781730
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804141
3-amino-1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]propan-1-one
CID 119302930
2-(4-methylpiperidin-1-yl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 78822372
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(benzenesulfonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119748135
7-amino-1-[4-(benzenesulfonyl)piperazin-1-yl]heptan-1-one
CID 119678275

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride (CID 119908256) is 2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride is Cl.NC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is DYFXPAPEMCYZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3S.ClH/c18-15-6-8-19(9-7-15)14-17(22)20-10-12-21(13-11-20)25(23,24)16-4-2-1-3-5-16;/h1-5,15H,6-14,18H2;1H.
What are the key properties of 2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride?
2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 402.95 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119908256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).