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

C24H26F3N3O2 — CID 11626465

IUPACN-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C24H26F3N3O2/c25-24(26,27)21-4-2-1-3-20(21)23(32)30-15-13-29(14-16-30)19-9-7-18(8-10-19)22(31)28-12-11-17-5-6-17/h1-4,7-10,17H,5-6,11-16H2,(H,28,31)
InChIKeyPQIQCSLZQNYXIW-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.20
Rot. Bonds6

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

N-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide (PubChem CID 11626465) has the molecular formula C24H26F3N3O2 and a molecular weight of 445.49 g/mol. Its IUPAC name is N-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
PubChem CID11626465
Molecular FormulaC24H26F3N3O2
Molecular Weight445.49 g/mol
Exact Mass445.20
IUPAC NameN-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
SMILESO=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C24H26F3N3O2/c25-24(26,27)21-4-2-1-3-20(21)23(32)30-15-13-29(14-16-30)19-9-7-18(8-10-19)22(31)28-12-11-17-5-6-17/h1-4,7-10,17H,5-6,11-16H2,(H,28,31)
InChIKeyPQIQCSLZQNYXIW-UHFFFAOYSA-N
XLogP4.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropylethyl)-2-formyl-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
CID 88967764
N-(2-cyclopropylethyl)-6-[5-[2-(trifluoromethyl)benzoyl]-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]pyridine-3-carboxamide
CID 25105830
[5-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-pyridinyl] N-(3-cyclohexylpropyl)carbamate
CID 67512570
N-(2-cyclopropylethyl)-6-[4-[3-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 11178786
N-(2-cyclopropylethyl)-2-fluoro-3-(trifluoromethyl)benzamide
CID 79885002
3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 25165128
[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
N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924696
(4-chloropiperidin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 63391010
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
N-[4-[4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 46415747

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide?
The IUPAC name of N-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide (CID 11626465) is N-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide.
What is the SMILES notation for N-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide?
The canonical SMILES for N-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide is O=C(NCCC1CC1)c1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of N-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide?
The InChIKey is PQIQCSLZQNYXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N3O2/c25-24(26,27)21-4-2-1-3-20(21)23(32)30-15-13-29(14-16-30)19-9-7-18(8-10-19)22(31)28-12-11-17-5-6-17/h1-4,7-10,17H,5-6,11-16H2,(H,28,31).
What are the key properties of N-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide?
N-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide has a molecular weight of 445.49 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylethyl)-4-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide is sourced from PubChem (CID 11626465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).