N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide

C14H20N2O4S — CID 1082595

IUPACN-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-20-13-5-3-12(4-6-13)15-14(17)11-7-9-16(10-8-11)21(2,18)19/h3-6,11H,7-10H2,1-2H3,(H,15,17)
InChIKeyMEXYLWLUFBPLEI-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.31
Rot. Bonds4

About N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide

N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 1082595) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID1082595
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC NameN-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C14H20N2O4S/c1-20-13-5-3-12(4-6-13)15-14(17)11-7-9-16(10-8-11)21(2,18)19/h3-6,11H,7-10H2,1-2H3,(H,15,17)
InChIKeyMEXYLWLUFBPLEI-UHFFFAOYSA-N
XLogP1.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide (CID 1082595) is N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is MEXYLWLUFBPLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-20-13-5-3-12(4-6-13)15-14(17)11-7-9-16(10-8-11)21(2,18)19/h3-6,11H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 312.39 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1082595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).