4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

C16H25ClN2OS — CID 119442569

IUPAC4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCCSCc1ccc(C(=O)N(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-3-20-12-13-4-6-14(7-5-13)16(19)18(2)15-8-10-17-11-9-15;/h4-7,15,17H,3,8-12H2,1-2H3;1H
InChIKeyYQCIVQLWABMWSF-UHFFFAOYSA-N
MW328.91 g/mol
LogP3.19
Rot. Bonds5

About 4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride

4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (PubChem CID 119442569) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
PubChem CID119442569
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC Name4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
SMILESCCSCc1ccc(C(=O)N(C)C2CCNCC2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-3-20-12-13-4-6-14(7-5-13)16(19)18(2)15-8-10-17-11-9-15;/h4-7,15,17H,3,8-12H2,1-2H3;1H
InChIKeyYQCIVQLWABMWSF-UHFFFAOYSA-N
XLogP3.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylsulfanylmethyl)-N-piperidin-4-yl-N-propylbenzamide
CID 119824388
N-methyl-N-piperidin-4-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide
CID 119441420
4-(4-ethylphenyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 21034256
N-methyl-4-[methyl(propyl)amino]-N-piperidin-4-ylbenzamide
CID 119444660
4-butan-2-yloxy-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443676
4-[benzyl(ethyl)amino]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444091
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-[(4-tert-butylphenoxy)methyl]-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119441295
4-isocyano-N-methyl-N-piperidin-4-ylbenzamide
CID 140732667
4-(1,3-dithiolan-2-yl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119442633
N-methyl-N-piperidin-4-yl-4-(3,4,5-trifluorophenyl)benzamide
CID 119444616
N-(azepan-4-yl)-4-bromo-N-methylbenzamide
CID 104974446

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The IUPAC name of 4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride (CID 119442569) is 4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is CCSCc1ccc(C(=O)N(C)C2CCNCC2)cc1.Cl.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
The InChIKey is YQCIVQLWABMWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-3-20-12-13-4-6-14(7-5-13)16(19)18(2)15-8-10-17-11-9-15;/h4-7,15,17H,3,8-12H2,1-2H3;1H.
What are the key properties of 4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride?
4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 119442569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).