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

C15H19F3N4O3 — CID 68664030

IUPAC4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid
SMILESNCC1(C(=O)NCc2ccc(C(F)(F)F)nc2)CCN(C(=O)O)CC1
InChIInChI=1S/C15H19F3N4O3/c16-15(17,18)11-2-1-10(7-20-11)8-21-12(23)14(9-19)3-5-22(6-4-14)13(24)25/h1-2,7H,3-6,8-9,19H2,(H,21,23)(H,24,25)
InChIKeyQLDQDSMUUXPVFY-UHFFFAOYSA-N
MW360.34 g/mol
LogP1.44
Rot. Bonds4

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

4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid (PubChem CID 68664030) has the molecular formula C15H19F3N4O3 and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid
PubChem CID68664030
Molecular FormulaC15H19F3N4O3
Molecular Weight360.34 g/mol
Exact Mass360.14
IUPAC Name4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid
SMILESNCC1(C(=O)NCc2ccc(C(F)(F)F)nc2)CCN(C(=O)O)CC1
InChIInChI=1S/C15H19F3N4O3/c16-15(17,18)11-2-1-10(7-20-11)8-21-12(23)14(9-19)3-5-22(6-4-14)13(24)25/h1-2,7H,3-6,8-9,19H2,(H,21,23)(H,24,25)
InChIKeyQLDQDSMUUXPVFY-UHFFFAOYSA-N
XLogP1.44
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid (CID 68664030) is 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid is NCC1(C(=O)NCc2ccc(C(F)(F)F)nc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid?
The InChIKey is QLDQDSMUUXPVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O3/c16-15(17,18)11-2-1-10(7-20-11)8-21-12(23)14(9-19)3-5-22(6-4-14)13(24)25/h1-2,7H,3-6,8-9,19H2,(H,21,23)(H,24,25).
What are the key properties of 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid?
4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid has a molecular weight of 360.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68664030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).