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

C15H19ClF3N3O2 — CID 2773877

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
SMILESCN(CCO)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C15H19ClF3N3O2/c1-21(6-7-23)14(24)10-2-4-22(5-3-10)13-12(16)8-11(9-20-13)15(17,18)19/h8-10,23H,2-7H2,1H3
InChIKeyAUFCNIZMJPYWDN-UHFFFAOYSA-N
MW365.78 g/mol
LogP2.42
Rot. Bonds4

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

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide (PubChem CID 2773877) has the molecular formula C15H19ClF3N3O2 and a molecular weight of 365.78 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
PubChem CID2773877
Molecular FormulaC15H19ClF3N3O2
Molecular Weight365.78 g/mol
Exact Mass365.11
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
SMILESCN(CCO)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C15H19ClF3N3O2/c1-21(6-7-23)14(24)10-2-4-22(5-3-10)13-12(16)8-11(9-20-13)15(17,18)19/h8-10,23H,2-7H2,1H3
InChIKeyAUFCNIZMJPYWDN-UHFFFAOYSA-N
XLogP2.42
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 52.42
H-Bond Donors ≤ 51
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)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide (CID 2773877) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide is CN(CCO)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is AUFCNIZMJPYWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3N3O2/c1-21(6-7-23)14(24)10-2-4-22(5-3-10)13-12(16)8-11(9-20-13)15(17,18)19/h8-10,23H,2-7H2,1H3.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 365.78 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 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)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 2773877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).