N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide

C17H26N2O4S — CID 47024530

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H26N2O4S/c1-13(15-9-5-6-10-16(15)23-3)18(2)17(20)14-8-7-11-19(12-14)24(4,21)22/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3
InChIKeyWDYDBACCBXDKDJ-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.89
Rot. Bonds5

About N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 47024530) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID47024530
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccccc1C(C)N(C)C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C17H26N2O4S/c1-13(15-9-5-6-10-16(15)23-3)18(2)17(20)14-8-7-11-19(12-14)24(4,21)22/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3
InChIKeyWDYDBACCBXDKDJ-UHFFFAOYSA-N
XLogP1.89
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 98672552
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 55556505
1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 132762136
(3S)-1-(dimethylsulfamoyl)-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 28575034
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 30330612
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
N-[1-(2-methoxyphenyl)ethyl]-N,2-dimethylpyrrolidine-3-carboxamide
CID 79388442
(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
CID 55556659
1-[(4-chlorophenyl)methylsulfonyl]-N-[1-(2-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 133161828
N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 46591480
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-(2-methylphenyl)ethyl]piperidine-3-carboxamide
CID 95877697

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide (CID 47024530) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide is COc1ccccc1C(C)N(C)C(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is WDYDBACCBXDKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-13(15-9-5-6-10-16(15)23-3)18(2)17(20)14-8-7-11-19(12-14)24(4,21)22/h5-6,9-10,13-14H,7-8,11-12H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 354.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 47024530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).