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

C19H22N2O2S — CID 119317934

IUPACN-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
SMILESCOc1ccc(Sc2ccc(NC(=O)C3CCNCC3)cc2)cc1
InChIInChI=1S/C19H22N2O2S/c1-23-16-4-8-18(9-5-16)24-17-6-2-15(3-7-17)21-19(22)14-10-12-20-13-11-14/h2-9,14,20H,10-13H2,1H3,(H,21,22)
InChIKeyZRKHIQLNEQTWCJ-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.78
Rot. Bonds5

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

N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide (PubChem CID 119317934) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
PubChem CID119317934
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
SMILESCOc1ccc(Sc2ccc(NC(=O)C3CCNCC3)cc2)cc1
InChIInChI=1S/C19H22N2O2S/c1-23-16-4-8-18(9-5-16)24-17-6-2-15(3-7-17)21-19(22)14-10-12-20-13-11-14/h2-9,14,20H,10-13H2,1H3,(H,21,22)
InChIKeyZRKHIQLNEQTWCJ-UHFFFAOYSA-N
XLogP3.78
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630872
N-[4-(2-methoxyphenoxy)phenyl]piperidine-4-carboxamide
CID 119275432
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
4-methoxy-N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide
CID 119773920
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
CID 124687466
1-N-(4-methoxyphenyl)-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150432
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
N-[4-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 43708676
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide (CID 119317934) is N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide is COc1ccc(Sc2ccc(NC(=O)C3CCNCC3)cc2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide?
The InChIKey is ZRKHIQLNEQTWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-23-16-4-8-18(9-5-16)24-17-6-2-15(3-7-17)21-19(22)14-10-12-20-13-11-14/h2-9,14,20H,10-13H2,1H3,(H,21,22).
What are the key properties of N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide?
N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)sulfanylphenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119317934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).