N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

C15H22N2O4S — CID 5123401

IUPACN-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C15H22N2O4S/c1-21-14-5-3-4-12(10-14)11-16-15(18)13-6-8-17(9-7-13)22(2,19)20/h3-5,10,13H,6-9,11H2,1-2H3,(H,16,18)
InChIKeyJUBAZYLJELNGOF-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.98
Rot. Bonds5

About N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 5123401) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID5123401
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1
InChIInChI=1S/C15H22N2O4S/c1-21-14-5-3-4-12(10-14)11-16-15(18)13-6-8-17(9-7-13)22(2,19)20/h3-5,10,13H,6-9,11H2,1-2H3,(H,16,18)
InChIKeyJUBAZYLJELNGOF-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-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
1-(4-chlorophenyl)sulfonyl-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3192910
N-[(3-chlorophenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 24603278
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31304480
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
1-[(3-methoxyphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917843
N-[(3-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284778
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(1-methylsulfonylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 111249066
N-[(3-methoxyphenyl)methyl]-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 15998242
1-(4-fluorobenzoyl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 18104565
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47002026

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 5123401) is N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is JUBAZYLJELNGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-14-5-3-4-12(10-14)11-16-15(18)13-6-8-17(9-7-13)22(2,19)20/h3-5,10,13H,6-9,11H2,1-2H3,(H,16,18).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(3-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-[(3-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 5123401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).