4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid

C16H23F3N4O2 — CID 67954461

IUPAC4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nc(C(F)(F)F)cn2CCN2CCCC2)CC1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)13-11-23(10-9-21-5-1-2-6-21)14(20-13)12-3-7-22(8-4-12)15(24)25/h11-12H,1-10H2,(H,24,25)
InChIKeyHNFBLWDQZYAPOK-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.86
Rot. Bonds4

About 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid

4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 67954461) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid
PubChem CID67954461
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nc(C(F)(F)F)cn2CCN2CCCC2)CC1
InChIInChI=1S/C16H23F3N4O2/c17-16(18,19)13-11-23(10-9-21-5-1-2-6-21)14(20-13)12-3-7-22(8-4-12)15(24)25/h11-12H,1-10H2,(H,24,25)
InChIKeyHNFBLWDQZYAPOK-UHFFFAOYSA-N
XLogP2.86
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid (CID 67954461) is 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2nc(C(F)(F)F)cn2CCN2CCCC2)CC1.
What is the InChIKey of 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid?
The InChIKey is HNFBLWDQZYAPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c17-16(18,19)13-11-23(10-9-21-5-1-2-6-21)14(20-13)12-3-7-22(8-4-12)15(24)25/h11-12H,1-10H2,(H,24,25).
What are the key properties of 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid?
4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 360.38 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)imidazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67954461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).