4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

C15H23N3O4S — CID 53498362

IUPAC4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-22-14-5-3-12(4-6-14)11-16-15(19)18-9-7-13(8-10-18)17-23(2,20)21/h3-6,13,17H,7-11H2,1-2H3,(H,16,19)
InChIKeyWBLZTQAFRJULSB-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.92
Rot. Bonds5

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

4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 53498362) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID53498362
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1
InChIInChI=1S/C15H23N3O4S/c1-22-14-5-3-12(4-6-14)11-16-15(19)18-9-7-13(8-10-18)17-23(2,20)21/h3-6,13,17H,7-11H2,1-2H3,(H,16,19)
InChIKeyWBLZTQAFRJULSB-UHFFFAOYSA-N
XLogP0.92
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate
CID 71809168
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-(2-aminoethyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 108868167
N-[(4-methoxyphenyl)methyl]-4-(3-methoxypyrrolidin-1-yl)piperidine-1-carboxamide
CID 134161071
N-[1-[3-(4-methoxyphenyl)sulfanylpropanoyl]piperidin-4-yl]methanesulfonamide
CID 55484464
4-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113105658
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
4-methyl-N-[(4-methylsulfonylphenyl)methyl]piperidine-1-carboxamide
CID 115584071
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679
4-(2-hydroxypropyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 71783478

Frequently Asked Questions

What is the IUPAC name of 4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 53498362) is 4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCC(NS(C)(=O)=O)CC2)cc1.
What is the InChIKey of 4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is WBLZTQAFRJULSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-22-14-5-3-12(4-6-14)11-16-15(19)18-9-7-13(8-10-18)17-23(2,20)21/h3-6,13,17H,7-11H2,1-2H3,(H,16,19).
What are the key properties of 4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 53498362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).