4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide

C20H24N2O3S — CID 119773920

IUPAC4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
SMILESCOc1ccc(Sc2ccc(NC(=O)C3(OC)CCNCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-24-16-5-9-18(10-6-16)26-17-7-3-15(4-8-17)22-19(23)20(25-2)11-13-21-14-12-20/h3-10,21H,11-14H2,1-2H3,(H,22,23)
InChIKeyWCGYALCLIPOARO-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.55
Rot. Bonds6

About 4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide

4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide (PubChem CID 119773920) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
PubChem CID119773920
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
SMILESCOc1ccc(Sc2ccc(NC(=O)C3(OC)CCNCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-24-16-5-9-18(10-6-16)26-17-7-3-15(4-8-17)22-19(23)20(25-2)11-13-21-14-12-20/h3-10,21H,11-14H2,1-2H3,(H,22,23)
InChIKeyWCGYALCLIPOARO-UHFFFAOYSA-N
XLogP3.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(4-methoxyphenyl)piperidine-4-carboxamide;hydrochloride
CID 119671002
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119700058
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119752834
4-methoxy-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]piperidine-4-carboxamide
CID 119757450
N-(4-cyclopentyloxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714806
N-[4-(4-ethoxyphenoxy)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119680034
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119813165
methyl 4-[4-[(4-methoxypiperidine-4-carbonyl)amino]phenoxy]butanoate
CID 119784210

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide (CID 119773920) is 4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide is COc1ccc(Sc2ccc(NC(=O)C3(OC)CCNCC3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide?
The InChIKey is WCGYALCLIPOARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-24-16-5-9-18(10-6-16)26-17-7-3-15(4-8-17)22-19(23)20(25-2)11-13-21-14-12-20/h3-10,21H,11-14H2,1-2H3,(H,22,23).
What are the key properties of 4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide?
4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119773920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).