1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide

C17H26N6O4S — CID 45190448

IUPAC1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(n2cc(C(=O)NCC(C)C)nn2)C1
InChIInChI=1S/C17H26N6O4S/c1-11(2)8-18-17(24)15-10-23(21-19-15)14-6-5-7-22(9-14)28(25,26)16-12(3)20-27-13(16)4/h10-11,14H,5-9H2,1-4H3,(H,18,24)
InChIKeyIQCXKKUNMBYAGR-UHFFFAOYSA-N
MW410.50 g/mol
LogP1.29
Rot. Bonds6

About 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide (PubChem CID 45190448) has the molecular formula C17H26N6O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide
PubChem CID45190448
Molecular FormulaC17H26N6O4S
Molecular Weight410.50 g/mol
Exact Mass410.17
IUPAC Name1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(n2cc(C(=O)NCC(C)C)nn2)C1
InChIInChI=1S/C17H26N6O4S/c1-11(2)8-18-17(24)15-10-23(21-19-15)14-6-5-7-22(9-14)28(25,26)16-12(3)20-27-13(16)4/h10-11,14H,5-9H2,1-4H3,(H,18,24)
InChIKeyIQCXKKUNMBYAGR-UHFFFAOYSA-N
XLogP1.29
TPSA123.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 45206580
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanol
CID 5185428
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methyl]propan-2-amine
CID 63241787
1-[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 26337547
1-[(3R)-1-(2-fluorophenyl)sulfonylpiperidin-3-yl]-N-(2-methoxyethyl)triazole-4-carboxamide
CID 42348901
1-[(3R)-1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 42472948
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-2-phenylethyl)piperidine-3-carboxamide
CID 55456972
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 53118750
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide (CID 45190448) is 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide is Cc1noc(C)c1S(=O)(=O)N1CCCC(n2cc(C(=O)NCC(C)C)nn2)C1.
What is the InChIKey of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The InChIKey is IQCXKKUNMBYAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O4S/c1-11(2)8-18-17(24)15-10-23(21-19-15)14-6-5-7-22(9-14)28(25,26)16-12(3)20-27-13(16)4/h10-11,14H,5-9H2,1-4H3,(H,18,24).
What are the key properties of 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-N-(2-methylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 45190448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).