3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid

C10H15F3N2O4 — CID 121473812

IUPAC3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid
SMILESCON(C)C(=O)C1CC(C(F)(F)F)CN(C(=O)O)C1
InChIInChI=1S/C10H15F3N2O4/c1-14(19-2)8(16)6-3-7(10(11,12)13)5-15(4-6)9(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyKOHMVIXSDIXQRP-UHFFFAOYSA-N
MW284.23 g/mol
LogP1.18
Rot. Bonds2

About 3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid

3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid (PubChem CID 121473812) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is 3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid
PubChem CID121473812
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Name3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid
SMILESCON(C)C(=O)C1CC(C(F)(F)F)CN(C(=O)O)C1
InChIInChI=1S/C10H15F3N2O4/c1-14(19-2)8(16)6-3-7(10(11,12)13)5-15(4-6)9(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)
InChIKeyKOHMVIXSDIXQRP-UHFFFAOYSA-N
XLogP1.18
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(Dimethylcarbamoyl)piperidin-1-yl] 2,2,2-trifluoroacetate
CID 69603216
5-(Dimethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylic acid
CID 89853539
3-(Methoxymethylcarbamoyl)-5-(trifluoromethyl)piperidine-1-carboxylic acid
CID 121473810
Tert-butyl 3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylate
CID 134195570
(4S)-3,3-difluoro-4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylic acid
CID 137372039
3,3-Difluoro-4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylic acid
CID 155254181
Tert-butyl 3-fluoro-5-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
CID 171085583
Tert-butyl 3,3-difluoro-5-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate
CID 178615797
1-acetyl-N-(2,2,2-trifluoroethoxy)piperidine-3-carboxamide
CID 81341059
3-[3-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119139178
3-[3-[Propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119139203
3-[Methyl-[1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119362850

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid (CID 121473812) is 3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid is CON(C)C(=O)C1CC(C(F)(F)F)CN(C(=O)O)C1.
What is the InChIKey of 3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid?
The InChIKey is KOHMVIXSDIXQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-14(19-2)8(16)6-3-7(10(11,12)13)5-15(4-6)9(17)18/h6-7H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid?
3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid has a molecular weight of 284.23 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)carbamoyl]-5-(trifluoromethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 121473812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).