4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C16H23ClN2OS2 — CID 119442633

IUPAC4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(C2SCCS2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C16H22N2OS2.ClH/c1-18(14-6-8-17-9-7-14)15(19)12-2-4-13(5-3-12)16-20-10-11-21-16;/h2-5,14,16-17H,6-11H2,1H3;1H
InChIKeyYOVFZEDVWIVKEW-UHFFFAOYSA-N
MW358.96 g/mol
LogP3.41
Rot. Bonds3

About 4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119442633) has the molecular formula C16H23ClN2OS2 and a molecular weight of 358.96 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119442633
Molecular FormulaC16H23ClN2OS2
Molecular Weight358.96 g/mol
Exact Mass358.09
IUPAC Name4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCN(C(=O)c1ccc(C2SCCS2)cc1)C1CCNCC1.Cl
InChIInChI=1S/C16H22N2OS2.ClH/c1-18(14-6-8-17-9-7-14)15(19)12-2-4-13(5-3-12)16-20-10-11-21-16;/h2-5,14,16-17H,6-11H2,1H3;1H
InChIKeyYOVFZEDVWIVKEW-UHFFFAOYSA-N
XLogP3.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.96
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-4-yl-1,3-benzodioxole-5-carboxamide
CID 12641855
4-isocyano-N-methyl-N-piperidin-4-ylbenzamide
CID 140732667
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446
2-[4-(1,3-dithian-2-yl)phenoxy]-N-methyl-N-piperidin-4-ylacetamide
CID 119441718
4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442569
N-methyl-N-piperidin-4-yl-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide;hydrochloride
CID 119443523
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
CID 119444660
N-methyl-N-piperidin-4-yl-4-pyrazol-1-ylbenzamide;hydrochloride
CID 68723933
N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 154900847
N-cyclopropyl-N-methyl-4-piperidin-4-yloxybenzamide
CID 143792433
3-[4-[methyl-(4-piperidin-4-ylbenzoyl)amino]cyclohexyl]propanoic acid;hydrochloride
CID 67844628

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119442633) is 4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is CN(C(=O)c1ccc(C2SCCS2)cc1)C1CCNCC1.Cl.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is YOVFZEDVWIVKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS2.ClH/c1-18(14-6-8-17-9-7-14)15(19)12-2-4-13(5-3-12)16-20-10-11-21-16;/h2-5,14,16-17H,6-11H2,1H3;1H.
What are the key properties of 4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 358.96 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119442633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).