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

C15H22N2O4S — CID 774752

IUPACN-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22N2O4S/c1-21-14-6-4-3-5-13(14)11-16-15(18)12-7-9-17(10-8-12)22(2,19)20/h3-6,12H,7-11H2,1-2H3,(H,16,18)
InChIKeyRBXOSXXRVZLPBN-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.98
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 774752) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID774752
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C15H22N2O4S/c1-21-14-6-4-3-5-13(14)11-16-15(18)12-7-9-17(10-8-12)22(2,19)20/h3-6,12H,7-11H2,1-2H3,(H,16,18)
InChIKeyRBXOSXXRVZLPBN-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

N-[(2-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285534
1-methylsulfonyl-N-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 95945588
1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31287972
ethyl 4-[4-[(2-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]sulfonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 20938268
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5308867
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 6619281
(3S)-1-(dimethylsulfamoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 93486945
N-[(2-methoxyphenyl)methyl]-1-[4-(2H-tetrazol-5-yl)phenyl]sulfonylpiperidine-4-carboxamide
CID 1469325
N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 5123401
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544
N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118870
1-(benzenesulfonyl)-N-[1-[(2-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide
CID 73401618

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 774752) is N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is RBXOSXXRVZLPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-14-6-4-3-5-13(14)11-16-15(18)12-7-9-17(10-8-12)22(2,19)20/h3-6,12H,7-11H2,1-2H3,(H,16,18).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-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-4-carboxamide is sourced from PubChem (CID 774752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).