1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide

C15H20N4O4S — CID 22586204

IUPAC1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C15H20N4O4S/c1-10(2)16-15(20)11-6-8-19(9-7-11)24(21,22)13-5-3-4-12-14(13)18-23-17-12/h3-5,10-11H,6-9H2,1-2H3,(H,16,20)
InChIKeyHSKJPGAFSFGMGL-UHFFFAOYSA-N
MW352.42 g/mol
LogP1.15
Rot. Bonds4

About 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 22586204) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID22586204
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
InChIInChI=1S/C15H20N4O4S/c1-10(2)16-15(20)11-6-8-19(9-7-11)24(21,22)13-5-3-4-12-14(13)18-23-17-12/h3-5,10-11H,6-9H2,1-2H3,(H,16,20)
InChIKeyHSKJPGAFSFGMGL-UHFFFAOYSA-N
XLogP1.15
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 15989356
methyl 4-[[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidine-4-carbonyl]amino]benzoate
CID 22429380
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 22429355
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 22429381
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 15996204
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 6619281
1-[4-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 42581296
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cyclopentylpiperidine-3-carboxamide
CID 4306785
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N,N-diethylpiperidin-4-amine
CID 75382838
(3R)-1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 7014300
[1-(2,1,3-benzoxadiazol-4-ylsulfonyl)piperidin-4-yl]-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 92715048
(3R)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 41087760

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide (CID 22586204) is 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide is CC(C)NC(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is HSKJPGAFSFGMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-10(2)16-15(20)11-6-8-19(9-7-11)24(21,22)13-5-3-4-12-14(13)18-23-17-12/h3-5,10-11H,6-9H2,1-2H3,(H,16,20).
What are the key properties of 1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide?
1-(2,1,3-benzoxadiazol-4-ylsulfonyl)-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 1.15, 4 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-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 22586204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).