3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide

C22H32F3N5O2 — CID 143404244

IUPAC3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN1CCN(C(=O)CN2CCN(c3cccc(C(=O)NCC(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C22H32F3N5O2/c1-2-6-27-7-13-30(14-8-27)20(31)16-28-9-11-29(12-10-28)19-5-3-4-18(15-19)21(32)26-17-22(23,24)25/h3-5,15H,2,6-14,16-17H2,1H3,(H,26,32)
InChIKeyLPNQYDNNQZFONV-UHFFFAOYSA-N
MW455.53 g/mol
LogP1.65
Rot. Bonds7

About 3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide

3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 143404244) has the molecular formula C22H32F3N5O2 and a molecular weight of 455.53 g/mol. Its IUPAC name is 3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID143404244
Molecular FormulaC22H32F3N5O2
Molecular Weight455.53 g/mol
Exact Mass455.25
IUPAC Name3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCCCN1CCN(C(=O)CN2CCN(c3cccc(C(=O)NCC(F)(F)F)c3)CC2)CC1
InChIInChI=1S/C22H32F3N5O2/c1-2-6-27-7-13-30(14-8-27)20(31)16-28-9-11-29(12-10-28)19-5-3-4-18(15-19)21(32)26-17-22(23,24)25/h3-5,15H,2,6-14,16-17H2,1H3,(H,26,32)
InChIKeyLPNQYDNNQZFONV-UHFFFAOYSA-N
XLogP1.65
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Related Compounds

3-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2,2-dimethylpropyl)benzamide
CID 57443118
1-(aziridin-1-yl)-2-(4-propylpiperazin-1-yl)ethanone
CID 89072510
methyl 3-(4-butanoylpiperazin-1-yl)benzoate
CID 113078437
1-(4-ethylpiperazin-1-yl)-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442902
3-(4-propylpiperazine-1-carbonyl)benzoic acid
CID 43452662
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]benzamide
CID 30885244
3-(4-acetylpiperazin-1-yl)sulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105522
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 30649023
1-(4-cyclobutylpiperazin-1-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 57442446
tert-butyl 2-[[3-(4-methylpiperazin-1-yl)benzoyl]amino]acetate
CID 69161819
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 143404244) is 3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide is CCCN1CCN(C(=O)CN2CCN(c3cccc(C(=O)NCC(F)(F)F)c3)CC2)CC1.
What is the InChIKey of 3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LPNQYDNNQZFONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N5O2/c1-2-6-27-7-13-30(14-8-27)20(31)16-28-9-11-29(12-10-28)19-5-3-4-18(15-19)21(32)26-17-22(23,24)25/h3-5,15H,2,6-14,16-17H2,1H3,(H,26,32).
What are the key properties of 3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide?
3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 455.53 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-oxo-2-(4-propylpiperazin-1-yl)ethyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 143404244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).