4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid

C15H19F3N4O3 — CID 68664029

IUPAC4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESCN(C(=O)C1(CN)CCN(C(=O)O)CC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H19F3N4O3/c1-21(10-2-3-11(20-8-10)15(16,17)18)12(23)14(9-19)4-6-22(7-5-14)13(24)25/h2-3,8H,4-7,9,19H2,1H3,(H,24,25)
InChIKeyJIBRWYOWVKHQBC-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.78
Rot. Bonds3

About 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid

4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (PubChem CID 68664029) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
PubChem CID68664029
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC Name4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESCN(C(=O)C1(CN)CCN(C(=O)O)CC1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C15H19F3N4O3/c1-21(10-2-3-11(20-8-10)15(16,17)18)12(23)14(9-19)4-6-22(7-5-14)13(24)25/h2-3,8H,4-7,9,19H2,1H3,(H,24,25)
InChIKeyJIBRWYOWVKHQBC-UHFFFAOYSA-N
XLogP1.78
TPSA99.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (CID 68664029) is 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is CN(C(=O)C1(CN)CCN(C(=O)O)CC1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is JIBRWYOWVKHQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3/c1-21(10-2-3-11(20-8-10)15(16,17)18)12(23)14(9-19)4-6-22(7-5-14)13(24)25/h2-3,8H,4-7,9,19H2,1H3,(H,24,25).
What are the key properties of 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid has a molecular weight of 360.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-[methyl-[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68664029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).