(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

C18H28N3O3S+ — CID 2390804

IUPAC(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O3S/c1-15-6-7-16(18(22)20-12-10-19(2)11-13-20)14-17(15)25(23,24)21-8-4-3-5-9-21/h6-7,14H,3-5,8-13H2,1-2H3/p+1
InChIKeyVVHSSWRRSQJZLY-UHFFFAOYSA-O
MW366.51 g/mol
LogP0.14
Rot. Bonds3

About (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 2390804) has the molecular formula C18H28N3O3S+ and a molecular weight of 366.51 g/mol. Its IUPAC name is (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID2390804
Molecular FormulaC18H28N3O3S+
Molecular Weight366.51 g/mol
Exact Mass366.18
IUPAC Name(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C18H27N3O3S/c1-15-6-7-16(18(22)20-12-10-19(2)11-13-20)14-17(15)25(23,24)21-8-4-3-5-9-21/h6-7,14H,3-5,8-13H2,1-2H3/p+1
InChIKeyVVHSSWRRSQJZLY-UHFFFAOYSA-O
XLogP0.14
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2336694
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 45426942
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 119563638
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1070097
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353985
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 45429250
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2335095
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 17465768
[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 55385020
2-[cyclopropyl-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]propanoic acid
CID 119202341
(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 974222

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone (CID 2390804) is (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone is Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is VVHSSWRRSQJZLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3O3S/c1-15-6-7-16(18(22)20-12-10-19(2)11-13-20)14-17(15)25(23,24)21-8-4-3-5-9-21/h6-7,14H,3-5,8-13H2,1-2H3/p+1.
What are the key properties of (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 366.51 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 2390804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).