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

C14H17ClF3N3O2 — CID 2773878

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C14H17ClF3N3O2/c15-11-7-10(14(16,17)18)8-20-12(11)21-4-1-9(2-5-21)13(23)19-3-6-22/h7-9,22H,1-6H2,(H,19,23)
InChIKeyXWXXCSFXJPWROR-UHFFFAOYSA-N
MW351.76 g/mol
LogP2.08
Rot. Bonds4

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (PubChem CID 2773878) has the molecular formula C14H17ClF3N3O2 and a molecular weight of 351.76 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
PubChem CID2773878
Molecular FormulaC14H17ClF3N3O2
Molecular Weight351.76 g/mol
Exact Mass351.10
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
SMILESO=C(NCCO)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C14H17ClF3N3O2/c15-11-7-10(14(16,17)18)8-20-12(11)21-4-1-9(2-5-21)13(23)19-3-6-22/h7-9,22H,1-6H2,(H,19,23)
InChIKeyXWXXCSFXJPWROR-UHFFFAOYSA-N
XLogP2.08
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.76
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide (CID 2773878) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is O=C(NCCO)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
The InChIKey is XWXXCSFXJPWROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N3O2/c15-11-7-10(14(16,17)18)8-20-12(11)21-4-1-9(2-5-21)13(23)19-3-6-22/h7-9,22H,1-6H2,(H,19,23).
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide has a molecular weight of 351.76 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2773878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).