N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide

C15H23N3O4S — CID 154839545

IUPACN-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C15H23N3O4S/c1-11-6-8-18(9-7-11)15(19)16-12-4-5-14(22-2)13(10-12)17-23(3,20)21/h4-5,10-11,17H,6-9H2,1-3H3,(H,16,19)
InChIKeyOLFQGFGSNQGHOF-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.33
Rot. Bonds4

About N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide

N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide (PubChem CID 154839545) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide
PubChem CID154839545
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC NameN-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCC(C)CC2)cc1NS(C)(=O)=O
InChIInChI=1S/C15H23N3O4S/c1-11-6-8-18(9-7-11)15(19)16-12-4-5-14(22-2)13(10-12)17-23(3,20)21/h4-5,10-11,17H,6-9H2,1-3H3,(H,16,19)
InChIKeyOLFQGFGSNQGHOF-UHFFFAOYSA-N
XLogP2.33
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide (CID 154839545) is N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide is COc1ccc(NC(=O)N2CCC(C)CC2)cc1NS(C)(=O)=O.
What is the InChIKey of N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide?
The InChIKey is OLFQGFGSNQGHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-6-8-18(9-7-11)15(19)16-12-4-5-14(22-2)13(10-12)17-23(3,20)21/h4-5,10-11,17H,6-9H2,1-3H3,(H,16,19).
What are the key properties of N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide?
N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)-4-methoxyphenyl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 154839545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).