N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide

C25H26F3N3O3 — CID 88967764

IUPACN-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
SMILESO=Cc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ccc1C(=O)NCCC1CC1
InChIInChI=1S/C25H26F3N3O3/c26-25(27,28)22-4-2-1-3-21(22)24(34)31-13-11-30(12-14-31)19-7-8-20(18(15-19)16-32)23(33)29-10-9-17-5-6-17/h1-4,7-8,15-17H,5-6,9-14H2,(H,29,33)
InChIKeyZPGVGFVJOHXIDW-UHFFFAOYSA-N
MW473.50 g/mol
LogP4.01
Rot. Bonds7

About N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide

N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide (PubChem CID 88967764) has the molecular formula C25H26F3N3O3 and a molecular weight of 473.50 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
PubChem CID88967764
Molecular FormulaC25H26F3N3O3
Molecular Weight473.50 g/mol
Exact Mass473.19
IUPAC NameN-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
SMILESO=Cc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ccc1C(=O)NCCC1CC1
InChIInChI=1S/C25H26F3N3O3/c26-25(27,28)22-4-2-1-3-21(22)24(34)31-13-11-30(12-14-31)19-7-8-20(18(15-19)16-32)23(33)29-10-9-17-5-6-17/h1-4,7-8,15-17H,5-6,9-14H2,(H,29,33)
InChIKeyZPGVGFVJOHXIDW-UHFFFAOYSA-N
XLogP4.01
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
CID 11626465
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl] N-(3-cyclohexylpropyl)carbamate
CID 67512570
N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide
CID 25105830
N-(2-cyclobutylethyl)-6-[4-[5-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11294562
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
N-(2-cyclopropylethyl)-6-[4-[3-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11178786
[4-(3-amino-4-nitrophenyl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 66863894
[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl] N-(4-cyclopropylbutyl)carbamate
CID 67418376
(4-aminopiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86276608
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
2-(2-cyclobutylethylcarbamoyl)benzoic acid
CID 113478591

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide?
The IUPAC name of N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide (CID 88967764) is N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide?
The canonical SMILES for N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide is O=Cc1cc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ccc1C(=O)NCCC1CC1.
What is the InChIKey of N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide?
The InChIKey is ZPGVGFVJOHXIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3/c26-25(27,28)22-4-2-1-3-21(22)24(34)31-13-11-30(12-14-31)19-7-8-20(18(15-19)16-32)23(33)29-10-9-17-5-6-17/h1-4,7-8,15-17H,5-6,9-14H2,(H,29,33).
What are the key properties of N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide?
N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide has a molecular weight of 473.50 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 88967764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).