1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C16H24F3N3O4S — CID 55664490

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1
InChIInChI=1S/C16H24F3N3O4S/c1-4-7-21(10-16(17,18)19)15(23)13-6-5-8-22(9-13)27(24,25)14-11(2)20-26-12(14)3/h13H,4-10H2,1-3H3
InChIKeyCFTPPIULEIHVER-UHFFFAOYSA-N
MW411.45 g/mol
LogP2.49
Rot. Bonds6

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 55664490) has the molecular formula C16H24F3N3O4S and a molecular weight of 411.45 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID55664490
Molecular FormulaC16H24F3N3O4S
Molecular Weight411.45 g/mol
Exact Mass411.14
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1
InChIInChI=1S/C16H24F3N3O4S/c1-4-7-21(10-16(17,18)19)15(23)13-6-5-8-22(9-13)27(24,25)14-11(2)20-26-12(14)3/h13H,4-10H2,1-3H3
InChIKeyCFTPPIULEIHVER-UHFFFAOYSA-N
XLogP2.49
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
CID 86833522
N-[[4-(dimethylamino)phenyl]methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethylpiperidine-3-carboxamide
CID 55455255
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
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]-N,N-bis(furan-2-ylmethyl)piperidine-3-carboxamide
CID 55451606
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-ethyl-N-phenylpiperidine-3-carboxamide
CID 51265846
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
CID 51265069
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
N-[2-(diethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55451540
N-butyl-1-(5-methylthiophen-2-yl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 55661970
cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
CID 55566653

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 55664490) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCCN(CC(F)(F)F)C(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is CFTPPIULEIHVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O4S/c1-4-7-21(10-16(17,18)19)15(23)13-6-5-8-22(9-13)27(24,25)14-11(2)20-26-12(14)3/h13H,4-10H2,1-3H3.
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 411.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 55664490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).