4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide

C26H27F3N4O2 — CID 178064446

IUPAC4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(c1ccc(-c2cncc(O)c2)cc1)N1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1
InChIInChI=1S/C26H27F3N4O2/c1-18(19-2-4-20(5-3-19)22-14-24(34)16-30-15-22)32-10-12-33(13-11-32)23-8-6-21(7-9-23)25(35)31-17-26(27,28)29/h2-9,14-16,18,34H,10-13,17H2,1H3,(H,31,35)
InChIKeyDKPKMOUWKRLKGW-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.63
Rot. Bonds6

About 4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide

4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 178064446) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID178064446
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC Name4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(c1ccc(-c2cncc(O)c2)cc1)N1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1
InChIInChI=1S/C26H27F3N4O2/c1-18(19-2-4-20(5-3-19)22-14-24(34)16-30-15-22)32-10-12-33(13-11-32)23-8-6-21(7-9-23)25(35)31-17-26(27,28)29/h2-9,14-16,18,34H,10-13,17H2,1H3,(H,31,35)
InChIKeyDKPKMOUWKRLKGW-UHFFFAOYSA-N
XLogP4.63
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 178064446) is 4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide is CC(c1ccc(-c2cncc(O)c2)cc1)N1CCN(c2ccc(C(=O)NCC(F)(F)F)cc2)CC1.
What is the InChIKey of 4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DKPKMOUWKRLKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-18(19-2-4-20(5-3-19)22-14-24(34)16-30-15-22)32-10-12-33(13-11-32)23-8-6-21(7-9-23)25(35)31-17-26(27,28)29/h2-9,14-16,18,34H,10-13,17H2,1H3,(H,31,35).
What are the key properties of 4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 484.52 g/mol, XLogP of 4.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-[4-(5-hydroxy-3-pyridinyl)phenyl]ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 178064446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).