2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride

C19H32Cl2N4O3S — CID 120555368

IUPAC2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCc1cccc(N2CCN(S(=O)(=O)CC(=O)NC3CCNCC3C)CC2)c1.Cl.Cl
InChIInChI=1S/C19H30N4O3S.2ClH/c1-15-4-3-5-17(12-15)22-8-10-23(11-9-22)27(25,26)14-19(24)21-18-6-7-20-13-16(18)2;;/h3-5,12,16,18,20H,6-11,13-14H2,1-2H3,(H,21,24);2*1H
InChIKeyZOPIQJVYTYNOCG-UHFFFAOYSA-N
MW467.46 g/mol
LogP1.40
Rot. Bonds5

About 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride

2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride (PubChem CID 120555368) has the molecular formula C19H32Cl2N4O3S and a molecular weight of 467.46 g/mol. Its IUPAC name is 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
PubChem CID120555368
Molecular FormulaC19H32Cl2N4O3S
Molecular Weight467.46 g/mol
Exact Mass466.16
IUPAC Name2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCc1cccc(N2CCN(S(=O)(=O)CC(=O)NC3CCNCC3C)CC2)c1.Cl.Cl
InChIInChI=1S/C19H30N4O3S.2ClH/c1-15-4-3-5-17(12-15)22-8-10-23(11-9-22)27(25,26)14-19(24)21-18-6-7-20-13-16(18)2;;/h3-5,12,16,18,20H,6-11,13-14H2,1-2H3,(H,21,24);2*1H
InChIKeyZOPIQJVYTYNOCG-UHFFFAOYSA-N
XLogP1.40
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.46
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119533705
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride
CID 119572490
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylethanone
CID 124589148
N-(3-methylpiperidin-4-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 120557201
N-(3-amino-2-methylpropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]sulfonylacetamide;dihydrochloride
CID 119997889
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555880
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-methylpiperidin-4-yl)acetamide
CID 120553949

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride?
The IUPAC name of 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride (CID 120555368) is 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride is Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NC3CCNCC3C)CC2)c1.Cl.Cl.
What is the InChIKey of 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride?
The InChIKey is ZOPIQJVYTYNOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S.2ClH/c1-15-4-3-5-17(12-15)22-8-10-23(11-9-22)27(25,26)14-19(24)21-18-6-7-20-13-16(18)2;;/h3-5,12,16,18,20H,6-11,13-14H2,1-2H3,(H,21,24);2*1H.
What are the key properties of 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride?
2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride has a molecular weight of 467.46 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylphenyl)piperazin-1-yl]sulfonyl-N-(3-methylpiperidin-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120555368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).