N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide

C20H24ClN2OS+ — CID 8590292

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H23ClN2OS/c1-25-19-8-4-16(5-9-19)20(24)22-18-10-12-23(13-11-18)14-15-2-6-17(21)7-3-15/h2-9,18H,10-14H2,1H3,(H,22,24)/p+1
InChIKeySTQAJAKMIVDTFZ-UHFFFAOYSA-O
MW375.95 g/mol
LogP3.04
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide

N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide (PubChem CID 8590292) has the molecular formula C20H24ClN2OS+ and a molecular weight of 375.95 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide
PubChem CID8590292
Molecular FormulaC20H24ClN2OS+
Molecular Weight375.95 g/mol
Exact Mass375.13
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C20H23ClN2OS/c1-25-19-8-4-16(5-9-19)20(24)22-18-10-12-23(13-11-18)14-15-2-6-17(21)7-3-15/h2-9,18H,10-14H2,1H3,(H,22,24)/p+1
InChIKeySTQAJAKMIVDTFZ-UHFFFAOYSA-O
XLogP3.04
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.95
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide 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

N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-propan-2-ylbenzamide
CID 8589992
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfonylbenzamide
CID 8590224
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3-fluoro-4-methylbenzamide
CID 8934739
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,4-dimethoxybenzamide
CID 8590009
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2,5-dimethylbenzamide
CID 8590026
N-cyclohexyl-4-methylsulfanylbenzamide
CID 60645846
N-[4-(methylamino)cyclohexyl]-4-methylsulfanylbenzamide
CID 79217136
N-cyclopropyl-4-(morpholin-4-ium-4-ylmethyl)benzamide
CID 7457311
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-2-nitrobenzamide
CID 8590046
N-(2-chlorophenyl)-1-[(4-methylsulfanylphenyl)methyl]piperidin-1-ium-4-amine
CID 7370782
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-oxo-4-phenylbutanamide
CID 8590176
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 8590207

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide (CID 8590292) is N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide is CSc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide?
The InChIKey is STQAJAKMIVDTFZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23ClN2OS/c1-25-19-8-4-16(5-9-19)20(24)22-18-10-12-23(13-11-18)14-15-2-6-17(21)7-3-15/h2-9,18H,10-14H2,1H3,(H,22,24)/p+1.
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide has a molecular weight of 375.95 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-1-ium-4-yl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 8590292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).