N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

C16H24N2O4S — CID 894431

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-22-15-5-3-13(4-6-15)7-10-17-16(19)14-8-11-18(12-9-14)23(2,20)21/h3-6,14H,7-12H2,1-2H3,(H,17,19)
InChIKeyZNPLTPMRLNCQEL-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.03
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 894431) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID894431
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-22-15-5-3-13(4-6-15)7-10-17-16(19)14-8-11-18(12-9-14)23(2,20)21/h3-6,14H,7-12H2,1-2H3,(H,17,19)
InChIKeyZNPLTPMRLNCQEL-UHFFFAOYSA-N
XLogP1.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(4-methoxyphenyl)ethyl)pentanamide
CID 1769471
N-(2-(1-Cyclohexen-1-yl)ethyl)-4-methoxybenzeneacetamide
CID 703658
N,N'-bis[2-(4-methoxyphenyl)ethyl]propanediamide
CID 2360210
Idaverine
CID 10341921
N-(4-methoxyphenethyl)oleamide
CID 44406075
2-(4-methoxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2496330
N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutanamide
CID 885698
4-(4-methoxyphenyl)-N-(2-phenylethyl)butanamide
CID 1716197
N-(2,5-dimethoxybenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 3623876
1-acetyl-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 9439687
N-(4-methoxybenzyl)piperidine-4-carboxamide
CID 883876
N-(2-(4-Methoxyphenyl)ethyl)acetamide
CID 584258

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 894431) is N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is COc1ccc(CCNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is ZNPLTPMRLNCQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-22-15-5-3-13(4-6-15)7-10-17-16(19)14-8-11-18(12-9-14)23(2,20)21/h3-6,14H,7-12H2,1-2H3,(H,17,19).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 340.44 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 894431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).