2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride

C17H28ClN3OS — CID 119919434

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NCCSc2ccc(C)cc2)C1.Cl
InChIInChI=1S/C17H27N3OS.ClH/c1-14-5-7-16(8-6-14)22-11-9-19-17(21)13-20-10-3-4-15(12-20)18-2;/h5-8,15,18H,3-4,9-13H2,1-2H3,(H,19,21);1H
InChIKeyWVQNXCHEZUNCQJ-UHFFFAOYSA-N
MW357.95 g/mol
LogP2.31
Rot. Bonds7

About 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride

2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride (PubChem CID 119919434) has the molecular formula C17H28ClN3OS and a molecular weight of 357.95 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride
PubChem CID119919434
Molecular FormulaC17H28ClN3OS
Molecular Weight357.95 g/mol
Exact Mass357.16
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)NCCSc2ccc(C)cc2)C1.Cl
InChIInChI=1S/C17H27N3OS.ClH/c1-14-5-7-16(8-6-14)22-11-9-19-17(21)13-20-10-3-4-15(12-20)18-2;/h5-8,15,18H,3-4,9-13H2,1-2H3,(H,19,21);1H
InChIKeyWVQNXCHEZUNCQJ-UHFFFAOYSA-N
XLogP2.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.95
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919895
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 119691502
1-[3-(methylamino)piperidin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 119487428
2-[[2-[3-(methylamino)piperidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119918211
N-[2-(4-tert-butylphenyl)ethyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919792
N-methyl-1-[2-(4-methylphenyl)sulfanylethyl]pyrrolidin-3-amine
CID 113282005
2-[3-(methylamino)piperidin-1-yl]-N-(2-methylpropyl)acetamide;hydrochloride
CID 119920243
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547586
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 86895544
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119919488
N-methyl-2-[3-(methylamino)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62546349
2-[3-(methylamino)piperidin-1-yl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 119920391

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride (CID 119919434) is 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride is CNC1CCCN(CC(=O)NCCSc2ccc(C)cc2)C1.Cl.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride?
The InChIKey is WVQNXCHEZUNCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3OS.ClH/c1-14-5-7-16(8-6-14)22-11-9-19-17(21)13-20-10-3-4-15(12-20)18-2;/h5-8,15,18H,3-4,9-13H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride?
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride has a molecular weight of 357.95 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride is sourced from PubChem (CID 119919434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).