1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

C20H22N4O4S — CID 15989356

IUPAC1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1
InChIInChI=1S/C20H22N4O4S/c1-14-5-7-15(8-6-14)13-21-20(25)16-9-11-24(12-10-16)29(26,27)18-4-2-3-17-19(18)23-28-22-17/h2-8,16H,9-13H2,1H3,(H,21,25)
InChIKeyGAELPBMFSHSPHM-UHFFFAOYSA-N
MW414.49 g/mol
LogP2.25
Rot. Bonds5

About 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 15989356) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID15989356
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1
InChIInChI=1S/C20H22N4O4S/c1-14-5-7-15(8-6-14)13-21-20(25)16-9-11-24(12-10-16)29(26,27)18-4-2-3-17-19(18)23-28-22-17/h2-8,16H,9-13H2,1H3,(H,21,25)
InChIKeyGAELPBMFSHSPHM-UHFFFAOYSA-N
XLogP2.25
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 15996204
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 22429355
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 6619281
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 22586204
methyl 4-[[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate
CID 22429380
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 22429381
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53042597
N-[(4-methylphenyl)methyl]-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810492
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine
CID 75382838
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 46366026
1-(2,4-dimethylphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 51155545
N-benzyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113003936

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide (CID 15989356) is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is GAELPBMFSHSPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-14-5-7-15(8-6-14)13-21-20(25)16-9-11-24(12-10-16)29(26,27)18-4-2-3-17-19(18)23-28-22-17/h2-8,16H,9-13H2,1H3,(H,21,25).
What are the key properties of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide?
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 15989356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).