N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C17H20F3N5O2 — CID 154784899

IUPACN-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1cccnc1N1CCC(O)CC1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C17H20F3N5O2/c1-11(25-10-6-14(23-25)17(18,19)20)16(27)22-13-3-2-7-21-15(13)24-8-4-12(26)5-9-24/h2-3,6-7,10-12,26H,4-5,8-9H2,1H3,(H,22,27)
InChIKeyRDQHMFCGVBNNEX-UHFFFAOYSA-N
MW383.37 g/mol
LogP2.46
Rot. Bonds4

About N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 154784899) has the molecular formula C17H20F3N5O2 and a molecular weight of 383.37 g/mol. Its IUPAC name is N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID154784899
Molecular FormulaC17H20F3N5O2
Molecular Weight383.37 g/mol
Exact Mass383.16
IUPAC NameN-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)Nc1cccnc1N1CCC(O)CC1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C17H20F3N5O2/c1-11(25-10-6-14(23-25)17(18,19)20)16(27)22-13-3-2-7-21-15(13)24-8-4-12(26)5-9-24/h2-3,6-7,10-12,26H,4-5,8-9H2,1H3,(H,22,27)
InChIKeyRDQHMFCGVBNNEX-UHFFFAOYSA-N
XLogP2.46
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 154784899) is N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)Nc1cccnc1N1CCC(O)CC1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is RDQHMFCGVBNNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O2/c1-11(25-10-6-14(23-25)17(18,19)20)16(27)22-13-3-2-7-21-15(13)24-8-4-12(26)5-9-24/h2-3,6-7,10-12,26H,4-5,8-9H2,1H3,(H,22,27).
What are the key properties of N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 383.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 154784899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).