1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide

C23H30N2OS — CID 45010994

IUPAC1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide
SMILESCc1ccc(SCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C23H30N2OS/c1-18-6-8-22(9-7-18)27-15-12-24-23(26)21-10-13-25(14-11-21)17-20-5-3-4-19(2)16-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,24,26)
InChIKeyFNCDOVZGGJBRJC-UHFFFAOYSA-N
MW382.57 g/mol
LogP4.42
Rot. Bonds7

About 1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide

1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide (PubChem CID 45010994) has the molecular formula C23H30N2OS and a molecular weight of 382.57 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide
PubChem CID45010994
Molecular FormulaC23H30N2OS
Molecular Weight382.57 g/mol
Exact Mass382.21
IUPAC Name1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide
SMILESCc1ccc(SCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1
InChIInChI=1S/C23H30N2OS/c1-18-6-8-22(9-7-18)27-15-12-24-23(26)21-10-13-25(14-11-21)17-20-5-3-4-19(2)16-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,24,26)
InChIKeyFNCDOVZGGJBRJC-UHFFFAOYSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(3-methylphenyl)methyl]-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 45009188
1-[(4-bromophenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide
CID 43920681
1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide
CID 43920642
1-[(3-chlorophenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-3-carboxamide
CID 43920667
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide
CID 38146040
1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024759
1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide
CID 38116322
1-[(4-methylphenyl)methyl]-N-[[3-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917625
1-[(4-methylphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917627
1-[(2,6-dichlorophenyl)methyl]-N-[3-(3-methylphenyl)propyl]piperidine-4-carboxamide
CID 46774026
N-[(4-ethoxyphenyl)methyl]-1-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 46774651
1-[(4-chloro-2-fluorophenyl)methyl]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 100685022

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide (CID 45010994) is 1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide is Cc1ccc(SCCNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide?
The InChIKey is FNCDOVZGGJBRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2OS/c1-18-6-8-22(9-7-18)27-15-12-24-23(26)21-10-13-25(14-11-21)17-20-5-3-4-19(2)16-20/h3-9,16,21H,10-15,17H2,1-2H3,(H,24,26).
What are the key properties of 1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide?
1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide has a molecular weight of 382.57 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-N-[2-(4-methylphenyl)sulfanylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 45010994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).