4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride

C22H44ClN7O4S — CID 160696762

IUPAC4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride
SMILESCN1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1.CN1CCN(C(=O)C2CCNCC2)CC1.Cl
InChIInChI=1S/C11H22N4O3S.C11H21N3O.ClH/c1-13-6-8-14(9-7-13)11(16)10-2-4-15(5-3-10)19(12,17)18;1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10;/h10H,2-9H2,1H3,(H2,12,17,18);10,12H,2-9H2,1H3;1H
InChIKeyMSLQKPVGODLGGJ-UHFFFAOYSA-N
MW538.16 g/mol
LogP-1.14
Rot. Bonds3

About 4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride

4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride (PubChem CID 160696762) has the molecular formula C22H44ClN7O4S and a molecular weight of 538.16 g/mol. Its IUPAC name is 4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride.

Molecular Properties

Compound Name4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride
PubChem CID160696762
Molecular FormulaC22H44ClN7O4S
Molecular Weight538.16 g/mol
Exact Mass537.29
IUPAC Name4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride
SMILESCN1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1.CN1CCN(C(=O)C2CCNCC2)CC1.Cl
InChIInChI=1S/C11H22N4O3S.C11H21N3O.ClH/c1-13-6-8-14(9-7-13)11(16)10-2-4-15(5-3-10)19(12,17)18;1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10;/h10H,2-9H2,1H3,(H2,12,17,18);10,12H,2-9H2,1H3;1H
InChIKeyMSLQKPVGODLGGJ-UHFFFAOYSA-N
XLogP-1.14
TPSA122.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.16
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
4-(thiomorpholine-4-carbonyl)piperidine-1-sulfonamide
CID 47351910
1-(cyclopropanecarbonyl)piperidine-4-sulfonamide;piperidine-4-sulfonamide;hydrochloride
CID 161366691
4-(cycloheptanecarbonyl)piperazine-1-sulfonamide
CID 62588341
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119293377
4-(piperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 91186239
4-[(3S)-piperidine-3-carbonyl]piperazine-1-sulfonamide
CID 81129268
4-(piperidine-3-carbonyl)piperazine-1-sulfonamide
CID 54916601
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
(4-aminopiperazin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 174315693
cyclobutyl-(4-methylpiperazin-1-yl)methanone;ethane
CID 176666855

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride?
The IUPAC name of 4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride (CID 160696762) is 4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride.
What is the SMILES notation for 4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride?
The canonical SMILES for 4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride is CN1CCN(C(=O)C2CCN(S(N)(=O)=O)CC2)CC1.CN1CCN(C(=O)C2CCNCC2)CC1.Cl.
What is the InChIKey of 4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride?
The InChIKey is MSLQKPVGODLGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3S.C11H21N3O.ClH/c1-13-6-8-14(9-7-13)11(16)10-2-4-15(5-3-10)19(12,17)18;1-13-6-8-14(9-7-13)11(15)10-2-4-12-5-3-10;/h10H,2-9H2,1H3,(H2,12,17,18);10,12H,2-9H2,1H3;1H.
What are the key properties of 4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride?
4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride has a molecular weight of 538.16 g/mol, XLogP of -1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone;hydrochloride is sourced from PubChem (CID 160696762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).