4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

C20H25ClN2OS — CID 119464249

IUPAC4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H24N2OS.ClH/c23-20(22-14-17-5-4-12-21-13-17)18-10-8-16(9-11-18)15-24-19-6-2-1-3-7-19;/h1-3,6-11,17,21H,4-5,12-15H2,(H,22,23);1H
InChIKeyXSCUVQLEAFVHKX-UHFFFAOYSA-N
MW376.95 g/mol
LogP4.13
Rot. Bonds6

About 4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride

4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119464249) has the molecular formula C20H25ClN2OS and a molecular weight of 376.95 g/mol. Its IUPAC name is 4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
PubChem CID119464249
Molecular FormulaC20H25ClN2OS
Molecular Weight376.95 g/mol
Exact Mass376.14
IUPAC Name4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccc(CSc2ccccc2)cc1
InChIInChI=1S/C20H24N2OS.ClH/c23-20(22-14-17-5-4-12-21-13-17)18-10-8-16(9-11-18)15-24-19-6-2-1-3-7-19;/h1-3,6-11,17,21H,4-5,12-15H2,(H,22,23);1H
InChIKeyXSCUVQLEAFVHKX-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.95
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride
CID 119462479
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
4-benzylsulfonyl-N-(piperidin-3-ylmethyl)benzamide
CID 119462777
4-(phenylsulfamoyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461716
2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464048
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
4-benzylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 119453539

Frequently Asked Questions

What is the IUPAC name of 4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride (CID 119464249) is 4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1ccc(CSc2ccccc2)cc1.
What is the InChIKey of 4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is XSCUVQLEAFVHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2OS.ClH/c23-20(22-14-17-5-4-12-21-13-17)18-10-8-16(9-11-18)15-24-19-6-2-1-3-7-19;/h1-3,6-11,17,21H,4-5,12-15H2,(H,22,23);1H.
What are the key properties of 4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride?
4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 376.95 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119464249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).