4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide

C20H24N2O2S — CID 72841938

IUPAC4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
SMILESCSCC1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O2S/c1-25-15-16-11-13-22(14-12-16)20(23)21-17-7-9-19(10-8-17)24-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H,21,23)
InChIKeyKELCFDWWWGKVSF-UHFFFAOYSA-N
MW356.49 g/mol
LogP5.09
Rot. Bonds5

About 4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide

4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide (PubChem CID 72841938) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
PubChem CID72841938
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
SMILESCSCC1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C20H24N2O2S/c1-25-15-16-11-13-22(14-12-16)20(23)21-17-7-9-19(10-8-17)24-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H,21,23)
InChIKeyKELCFDWWWGKVSF-UHFFFAOYSA-N
XLogP5.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide 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

4-(hydroxymethyl)-N-[4-(4-methylphenoxy)phenyl]piperidine-1-carboxamide
CID 48832439
4-(phenoxymethyl)-N-phenylpiperidine-1-carboxamide
CID 110638783
4-(pentanoylamino)-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 127145242
4-cyclopentyl-4-hydroxy-N-(4-phenoxyphenyl)piperidine-1-carboxamide
CID 23071843
N-(3-cyano-4-methylphenyl)-4-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 72853430
4-(methoxymethyl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 121091713
4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 113111310
4-(hydroxymethyl)-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 111486727
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-[4-(3-methoxyphenoxy)phenyl]-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 136534290
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide (CID 72841938) is 4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide is CSCC1CCN(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
The InChIKey is KELCFDWWWGKVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-25-15-16-11-13-22(14-12-16)20(23)21-17-7-9-19(10-8-17)24-18-5-3-2-4-6-18/h2-10,16H,11-15H2,1H3,(H,21,23).
What are the key properties of 4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide?
4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfanylmethyl)-N-(4-phenoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 72841938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).