1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C12H13ClF3N3O — CID 2822363

IUPAC1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C12H13ClF3N3O/c13-8-5-9(12(14,15)16)11(18-6-8)19-3-1-7(2-4-19)10(17)20/h5-7H,1-4H2,(H2,17,20)
InChIKeyJCKVGGYAGCVCDH-UHFFFAOYSA-N
MW307.70 g/mol
LogP2.46
Rot. Bonds2

About 1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 2822363) has the molecular formula C12H13ClF3N3O and a molecular weight of 307.70 g/mol. Its IUPAC name is 1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID2822363
Molecular FormulaC12H13ClF3N3O
Molecular Weight307.70 g/mol
Exact Mass307.07
IUPAC Name1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ncc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C12H13ClF3N3O/c13-8-5-9(12(14,15)16)11(18-6-8)19-3-1-7(2-4-19)10(17)20/h5-7H,1-4H2,(H2,17,20)
InChIKeyJCKVGGYAGCVCDH-UHFFFAOYSA-N
XLogP2.46
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.70
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 2822363) is 1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ncc(Cl)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is JCKVGGYAGCVCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O/c13-8-5-9(12(14,15)16)11(18-6-8)19-3-1-7(2-4-19)10(17)20/h5-7H,1-4H2,(H2,17,20).
What are the key properties of 1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 307.70 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 2822363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).