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

C14H13F3N4O3 — CID 68664114

IUPAC4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESN#CC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCN(C(=O)O)CC1
InChIInChI=1S/C14H13F3N4O3/c15-14(16,17)10-2-1-9(7-19-10)20-11(22)13(8-18)3-5-21(6-4-13)12(23)24/h1-2,7H,3-6H2,(H,20,22)(H,23,24)
InChIKeyCDLYRBYZAZKOJG-UHFFFAOYSA-N
MW342.28 g/mol
LogP2.32
Rot. Bonds2

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

4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (PubChem CID 68664114) has the molecular formula C14H13F3N4O3 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
PubChem CID68664114
Molecular FormulaC14H13F3N4O3
Molecular Weight342.28 g/mol
Exact Mass342.09
IUPAC Name4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid
SMILESN#CC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCN(C(=O)O)CC1
InChIInChI=1S/C14H13F3N4O3/c15-14(16,17)10-2-1-9(7-19-10)20-11(22)13(8-18)3-5-21(6-4-13)12(23)24/h1-2,7H,3-6H2,(H,20,22)(H,23,24)
InChIKeyCDLYRBYZAZKOJG-UHFFFAOYSA-N
XLogP2.32
TPSA106.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid (CID 68664114) is 4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is N#CC1(C(=O)Nc2ccc(C(F)(F)F)nc2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is CDLYRBYZAZKOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O3/c15-14(16,17)10-2-1-9(7-19-10)20-11(22)13(8-18)3-5-21(6-4-13)12(23)24/h1-2,7H,3-6H2,(H,20,22)(H,23,24).
What are the key properties of 4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid?
4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid has a molecular weight of 342.28 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-4-[[6-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68664114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).