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

C15H22N2O4S — CID 774750

IUPACN-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-21-14-5-3-12(4-6-14)11-16-15(18)13-7-9-17(10-8-13)22(2,19)20/h3-6,13H,7-11H2,1-2H3,(H,16,18)
InChIKeyCUMGBDYSUJEERP-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.98
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 774750) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID774750
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-21-14-5-3-12(4-6-14)11-16-15(18)13-7-9-17(10-8-13)22(2,19)20/h3-6,13H,7-11H2,1-2H3,(H,16,18)
InChIKeyCUMGBDYSUJEERP-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide (CID 774750) is N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is CUMGBDYSUJEERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-21-14-5-3-12(4-6-14)11-16-15(18)13-7-9-17(10-8-13)22(2,19)20/h3-6,13H,7-11H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide?
N-[(4-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-[(4-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 774750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).