2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide

C21H23F3N4O3 — CID 4882340

IUPAC2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H23F3N4O3/c1-31-17-5-3-2-4-16(17)20(30)25-9-8-19(29)28-12-10-27(11-13-28)18-7-6-15(14-26-18)21(22,23)24/h2-7,14H,8-13H2,1H3,(H,25,30)
InChIKeyPBHMUFQRDDIESA-UHFFFAOYSA-N
MW436.43 g/mol
LogP2.58
Rot. Bonds6

About 2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide

2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide (PubChem CID 4882340) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is 2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide
PubChem CID4882340
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC Name2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide
SMILESCOc1ccccc1C(=O)NCCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C21H23F3N4O3/c1-31-17-5-3-2-4-16(17)20(30)25-9-8-19(29)28-12-10-27(11-13-28)18-7-6-15(14-26-18)21(22,23)24/h2-7,14H,8-13H2,1H3,(H,25,30)
InChIKeyPBHMUFQRDDIESA-UHFFFAOYSA-N
XLogP2.58
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide (CID 4882340) is 2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide is COc1ccccc1C(=O)NCCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide?
The InChIKey is PBHMUFQRDDIESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-31-17-5-3-2-4-16(17)20(30)25-9-8-19(29)28-12-10-27(11-13-28)18-7-6-15(14-26-18)21(22,23)24/h2-7,14H,8-13H2,1H3,(H,25,30).
What are the key properties of 2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide?
2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide has a molecular weight of 436.43 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-oxo-3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]benzamide is sourced from PubChem (CID 4882340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).