2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide

C15H19ClF3N3O — CID 3816444

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCN1CCCCC1
InChIInChI=1S/C15H19ClF3N3O/c16-12-8-11(15(17,18)19)10-21-13(12)9-14(23)20-4-7-22-5-2-1-3-6-22/h8,10H,1-7,9H2,(H,20,23)
InChIKeyBQHABTMXQAVHLG-UHFFFAOYSA-N
MW349.78 g/mol
LogP2.90
Rot. Bonds5

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 3816444) has the molecular formula C15H19ClF3N3O and a molecular weight of 349.78 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID3816444
Molecular FormulaC15H19ClF3N3O
Molecular Weight349.78 g/mol
Exact Mass349.12
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCN1CCCCC1
InChIInChI=1S/C15H19ClF3N3O/c16-12-8-11(15(17,18)19)10-21-13(12)9-14(23)20-4-7-22-5-2-1-3-6-22/h8,10H,1-7,9H2,(H,20,23)
InChIKeyBQHABTMXQAVHLG-UHFFFAOYSA-N
XLogP2.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.78
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide (CID 3816444) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide is O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCCN1CCCCC1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is BQHABTMXQAVHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N3O/c16-12-8-11(15(17,18)19)10-21-13(12)9-14(23)20-4-7-22-5-2-1-3-6-22/h8,10H,1-7,9H2,(H,20,23).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 349.78 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 3816444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).