N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide

C21H26N2OS — CID 55532512

IUPACN-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2OS/c1-16-8-9-19(25-2)14-20(16)21(24)22-18-10-12-23(13-11-18)15-17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyOBTGGODBDAUEBI-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.11
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide

N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide (PubChem CID 55532512) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide
PubChem CID55532512
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C21H26N2OS/c1-16-8-9-19(25-2)14-20(16)21(24)22-18-10-12-23(13-11-18)15-17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24)
InChIKeyOBTGGODBDAUEBI-UHFFFAOYSA-N
XLogP4.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-[[3-(4-methylsulfanylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134801209
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
N-(1-benzylpyrrolidin-3-yl)-2,4-dimethylbenzamide
CID 18156319
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
[2-[(1-benzylpiperidin-4-yl)carbamoyl]-6-fluorophenyl]carbamic acid
CID 68709667
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
N-(1-benzylpiperidin-4-yl)-2-(2,4,6-trimethylphenyl)sulfanylacetamide
CID 8682410
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
CID 39510378
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide (CID 55532512) is N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide is CSc1ccc(C)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is OBTGGODBDAUEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c1-16-8-9-19(25-2)14-20(16)21(24)22-18-10-12-23(13-11-18)15-17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,22,24).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide?
N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 354.52 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 55532512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).