N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide

C23H21F3N4O — CID 70001265

IUPACN-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCNCC2)nc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H21F3N4O/c24-23(25,26)17-7-5-16(6-8-17)19-3-1-2-4-20(19)22(31)29-18-9-10-21(28-15-18)30-13-11-27-12-14-30/h1-10,15,27H,11-14H2,(H,29,31)
InChIKeyUGCUMXFAXUWCFZ-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.43
Rot. Bonds4

About N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide

N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 70001265) has the molecular formula C23H21F3N4O and a molecular weight of 426.44 g/mol. Its IUPAC name is N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID70001265
Molecular FormulaC23H21F3N4O
Molecular Weight426.44 g/mol
Exact Mass426.17
IUPAC NameN-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(N2CCNCC2)nc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H21F3N4O/c24-23(25,26)17-7-5-16(6-8-17)19-3-1-2-4-20(19)22(31)29-18-9-10-21(28-15-18)30-13-11-27-12-14-30/h1-10,15,27H,11-14H2,(H,29,31)
InChIKeyUGCUMXFAXUWCFZ-UHFFFAOYSA-N
XLogP4.43
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide (CID 70001265) is N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccc(N2CCNCC2)nc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UGCUMXFAXUWCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O/c24-23(25,26)17-7-5-16(6-8-17)19-3-1-2-4-20(19)22(31)29-18-9-10-21(28-15-18)30-13-11-27-12-14-30/h1-10,15,27H,11-14H2,(H,29,31).
What are the key properties of N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide?
N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 426.44 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperazin-1-yl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 70001265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).