2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride

C16H26ClN3OS — CID 119929541

IUPAC2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride
SMILESCSc1ccccc1NC(=O)CN(C)CC1CCCNC1.Cl
InChIInChI=1S/C16H25N3OS.ClH/c1-19(11-13-6-5-9-17-10-13)12-16(20)18-14-7-3-4-8-15(14)21-2;/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3,(H,18,20);1H
InChIKeyOBFCVNJHXGQZNC-UHFFFAOYSA-N
MW343.92 g/mol
LogP2.70
Rot. Bonds6

About 2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride

2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride (PubChem CID 119929541) has the molecular formula C16H26ClN3OS and a molecular weight of 343.92 g/mol. Its IUPAC name is 2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride
PubChem CID119929541
Molecular FormulaC16H26ClN3OS
Molecular Weight343.92 g/mol
Exact Mass343.15
IUPAC Name2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride
SMILESCSc1ccccc1NC(=O)CN(C)CC1CCCNC1.Cl
InChIInChI=1S/C16H25N3OS.ClH/c1-19(11-13-6-5-9-17-10-13)12-16(20)18-14-7-3-4-8-15(14)21-2;/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3,(H,18,20);1H
InChIKeyOBFCVNJHXGQZNC-UHFFFAOYSA-N
XLogP2.70
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.92
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815623
N-(3,5-difluorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide;hydrochloride
CID 119931387
N-(4-methylphenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815598
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815619
2-[[2-[methyl(piperidin-3-ylmethyl)amino]acetyl]amino]thiophene-3-carboxamide
CID 106637147
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9049169
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
N-cyclohexyl-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636311
3-cyclopentyl-N-(2-methylsulfanylphenyl)propanamide
CID 112789217
N-(2-methoxyphenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide
CID 79702343
1-(2,3-dihydroindol-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106637154
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride (CID 119929541) is 2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride is CSc1ccccc1NC(=O)CN(C)CC1CCCNC1.Cl.
What is the InChIKey of 2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride?
The InChIKey is OBFCVNJHXGQZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS.ClH/c1-19(11-13-6-5-9-17-10-13)12-16(20)18-14-7-3-4-8-15(14)21-2;/h3-4,7-8,13,17H,5-6,9-12H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride?
2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride has a molecular weight of 343.92 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-3-ylmethyl)amino]-N-(2-methylsulfanylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119929541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).