4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

C17H25ClN2OS2 — CID 120554586

IUPAC4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(C2SCCCS2)cc1.Cl
InChIInChI=1S/C17H24N2OS2.ClH/c1-12-11-18-8-7-15(12)19-16(20)13-3-5-14(6-4-13)17-21-9-2-10-22-17;/h3-6,12,15,17-18H,2,7-11H2,1H3,(H,19,20);1H
InChIKeyTYPFBHJZXMPJOH-UHFFFAOYSA-N
MW372.99 g/mol
LogP3.70
Rot. Bonds3

About 4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120554586) has the molecular formula C17H25ClN2OS2 and a molecular weight of 372.99 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120554586
Molecular FormulaC17H25ClN2OS2
Molecular Weight372.99 g/mol
Exact Mass372.11
IUPAC Name4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCC1CNCCC1NC(=O)c1ccc(C2SCCCS2)cc1.Cl
InChIInChI=1S/C17H24N2OS2.ClH/c1-12-11-18-8-7-15(12)19-16(20)13-3-5-14(6-4-13)17-21-9-2-10-22-17;/h3-6,12,15,17-18H,2,7-11H2,1H3,(H,19,20);1H
InChIKeyTYPFBHJZXMPJOH-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.99
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557720
N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
4-chloro-3-iodo-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120557633
N-(3-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 120555926
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
N-[2-(aminomethyl)cyclohexyl]-4-(1,3-dithian-2-yl)benzamide;hydrochloride
CID 119610012
N-(3-methylpiperidin-4-yl)-4-pyrazol-1-ylbenzamide;hydrochloride
CID 120557656
4-[(ethylsulfonylamino)methyl]-N-(3-methylpiperidin-4-yl)benzamide
CID 120557775
4-(cyclopropylmethoxy)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556355
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
N-(3-methylpiperidin-4-yl)-4-prop-2-enoxybenzamide
CID 120556672
4-(3-methylbutoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553316

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120554586) is 4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is CC1CNCCC1NC(=O)c1ccc(C2SCCCS2)cc1.Cl.
What is the InChIKey of 4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is TYPFBHJZXMPJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS2.ClH/c1-12-11-18-8-7-15(12)19-16(20)13-3-5-14(6-4-13)17-21-9-2-10-22-17;/h3-6,12,15,17-18H,2,7-11H2,1H3,(H,19,20);1H.
What are the key properties of 4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 372.99 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-yl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120554586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).