N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

C18H19F3N4O2 — CID 135126582

IUPACN-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(O)cn1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-1-3-14(4-2-13)25-9-7-24(8-10-25)12-17(27)23-16-6-5-15(26)11-22-16/h1-6,11,26H,7-10,12H2,(H,22,23,27)
InChIKeyRGENNSXAVZOTLC-UHFFFAOYSA-N
MW380.37 g/mol
LogP2.57
Rot. Bonds4

About N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide

N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (PubChem CID 135126582) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
PubChem CID135126582
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC NameN-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(c2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(O)cn1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-1-3-14(4-2-13)25-9-7-24(8-10-25)12-17(27)23-16-6-5-15(26)11-22-16/h1-6,11,26H,7-10,12H2,(H,22,23,27)
InChIKeyRGENNSXAVZOTLC-UHFFFAOYSA-N
XLogP2.57
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide (CID 135126582) is N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is O=C(CN1CCN(c2ccc(C(F)(F)F)cc2)CC1)Nc1ccc(O)cn1.
What is the InChIKey of N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
The InChIKey is RGENNSXAVZOTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)13-1-3-14(4-2-13)25-9-7-24(8-10-25)12-17(27)23-16-6-5-15(26)11-22-16/h1-6,11,26H,7-10,12H2,(H,22,23,27).
What are the key properties of N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide?
N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide has a molecular weight of 380.37 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-pyridinyl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 135126582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).