N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C12H16F3N3O4 — CID 72716112

IUPACN-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC(=O)C2CCNCC2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15N3O2.C2HF3O2/c1-7-6-9(13-15-7)12-10(14)8-2-4-11-5-3-8;3-2(4,5)1(6)7/h6,8,11H,2-5H2,1H3,(H,12,13,14);(H,6,7)
InChIKeyGNERGYZNQGYARO-UHFFFAOYSA-N
MW323.27 g/mol
LogP1.55
Rot. Bonds2

About N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 72716112) has the molecular formula C12H16F3N3O4 and a molecular weight of 323.27 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID72716112
Molecular FormulaC12H16F3N3O4
Molecular Weight323.27 g/mol
Exact Mass323.11
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(NC(=O)C2CCNCC2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H15N3O2.C2HF3O2/c1-7-6-9(13-15-7)12-10(14)8-2-4-11-5-3-8;3-2(4,5)1(6)7/h6,8,11H,2-5H2,1H3,(H,12,13,14);(H,6,7)
InChIKeyGNERGYZNQGYARO-UHFFFAOYSA-N
XLogP1.55
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 72716112) is N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(NC(=O)C2CCNCC2)no1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GNERGYZNQGYARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.C2HF3O2/c1-7-6-9(13-15-7)12-10(14)8-2-4-11-5-3-8;3-2(4,5)1(6)7/h6,8,11H,2-5H2,1H3,(H,12,13,14);(H,6,7).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 323.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 72716112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).