N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide

C21H26N2O2S — CID 86966315

IUPACN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
SMILESCOc1ccccc1N1CCCC(NC(=O)c2cc(SC)ccc2C)C1
InChIInChI=1S/C21H26N2O2S/c1-15-10-11-17(26-3)13-18(15)21(24)22-16-7-6-12-23(14-16)19-8-4-5-9-20(19)25-2/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H,22,24)
InChIKeyNWMRKCQHSPTJOZ-UHFFFAOYSA-N
MW370.52 g/mol
LogP4.12
Rot. Bonds5

About N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide

N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide (PubChem CID 86966315) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
PubChem CID86966315
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
SMILESCOc1ccccc1N1CCCC(NC(=O)c2cc(SC)ccc2C)C1
InChIInChI=1S/C21H26N2O2S/c1-15-10-11-17(26-3)13-18(15)21(24)22-16-7-6-12-23(14-16)19-8-4-5-9-20(19)25-2/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H,22,24)
InChIKeyNWMRKCQHSPTJOZ-UHFFFAOYSA-N
XLogP4.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-phenylsulfanylpropanamide
CID 86965606
2-(2-fluorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methylpropanamide
CID 86965751
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870
2-(3-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965513
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide
CID 136517434
3-chloro-4-ethoxy-5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]benzamide
CID 86965528
N-[1-(2-methoxyphenyl)piperidin-3-yl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 86965666
5-methoxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 86965684
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 86965648
N-[2-[[1-(2-methoxyphenyl)piperidin-3-yl]carbamoyl]phenyl]-N-methylfuran-2-carboxamide
CID 86966309

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide (CID 86966315) is N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide is COc1ccccc1N1CCCC(NC(=O)c2cc(SC)ccc2C)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is NWMRKCQHSPTJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-15-10-11-17(26-3)13-18(15)21(24)22-16-7-6-12-23(14-16)19-8-4-5-9-20(19)25-2/h4-5,8-11,13,16H,6-7,12,14H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide?
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 370.52 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 86966315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).