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

C15H22N2O4S — CID 2991331

IUPACN-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H22N2O4S/c1-21-14-8-4-3-6-12(14)10-16-15(18)13-7-5-9-17(11-13)22(2,19)20/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,16,18)
InChIKeyPATKSRNAUCWSTF-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.98
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 2991331) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID2991331
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H22N2O4S/c1-21-14-8-4-3-6-12(14)10-16-15(18)13-7-5-9-17(11-13)22(2,19)20/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,16,18)
InChIKeyPATKSRNAUCWSTF-UHFFFAOYSA-N
XLogP0.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-((1-(benzenesulfonyl)piperidin-4-yl)formamido)-N-((2-methoxyphenyl)methyl)propanamide
CID 17585104
N-(2,5-dimethoxybenzyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 3623876
N-[(2-methoxyphenyl)methyl]-3-[2-(4-methylphenyl)ethenesulfonamido]propanamide
CID 16314228
N-(2-Methoxy-benzyl)-3-methyl-butyramide
CID 842661
N-[(2-methoxyphenyl)methyl]-2-methylpentanamide
CID 2890938
N-(2-methoxybenzyl)-1-(thiophen-2-ylsulfonyl)piperidine-3-carboxamide
CID 18104644
N-[2-(4-methoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 894431
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid benzylamide
CID 2981985
1-(ethylsulfonyl)-N-(3-methoxybenzyl)piperidine-3-carboxamide
CID 3236733
N-benzyl-1-(2-methoxybenzyl)-N-methylpiperidine-3-carboxamide
CID 3237704
N-(2,5-dimethoxybenzyl)-1-(pyrrolidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3238549
N-(5-bromo-2-methoxybenzyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 3238665

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide (CID 2991331) is N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is COc1ccccc1CNC(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is PATKSRNAUCWSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-14-8-4-3-6-12(14)10-16-15(18)13-7-5-9-17(11-13)22(2,19)20/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 2991331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).