4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide

C24H32FN5O2 — CID 68631280

IUPAC4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCN1CCN(c2ccc(C(=O)NCCc3ccccc3F)cc2C(N)=O)CC1
InChIInChI=1S/C24H32FN5O2/c1-28(2)11-12-29-13-15-30(16-14-29)22-8-7-19(17-20(22)23(26)31)24(32)27-10-9-18-5-3-4-6-21(18)25/h3-8,17H,9-16H2,1-2H3,(H2,26,31)(H,27,32)
InChIKeyMNAAGEAFRHPHMO-UHFFFAOYSA-N
MW441.55 g/mol
LogP1.58
Rot. Bonds9

About 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide

4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide (PubChem CID 68631280) has the molecular formula C24H32FN5O2 and a molecular weight of 441.55 g/mol. Its IUPAC name is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
PubChem CID68631280
Molecular FormulaC24H32FN5O2
Molecular Weight441.55 g/mol
Exact Mass441.25
IUPAC Name4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
SMILESCN(C)CCN1CCN(c2ccc(C(=O)NCCc3ccccc3F)cc2C(N)=O)CC1
InChIInChI=1S/C24H32FN5O2/c1-28(2)11-12-29-13-15-30(16-14-29)22-8-7-19(17-20(22)23(26)31)24(32)27-10-9-18-5-3-4-6-21(18)25/h3-8,17H,9-16H2,1-2H3,(H2,26,31)(H,27,32)
InChIKeyMNAAGEAFRHPHMO-UHFFFAOYSA-N
XLogP1.58
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-[2-(2-fluorophenyl)ethyl]benzamide
CID 68631283
3-N-[2-(dimethylamino)ethyl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053145
1-N-[3-(dimethylamino)propyl]-3-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109053381
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluorobenzenecarbothioamide
CID 62890022
1-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]ethanone
CID 60699160
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1,3-benzodioxole-5-carboxamide
CID 42224330
5-chloro-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]benzenecarbothioamide
CID 62890191
N-[2-(2-fluorophenyl)ethyl]-4-morpholin-4-yl-3-nitrobenzamide
CID 39709211
N-[5-[2-(2,4-dichlorophenyl)ethylcarbamoyl]-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]phenyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 70986763
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
4-N-[3-(dimethylamino)propyl]-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109083889
N-[2-(2-fluorophenyl)ethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46679781

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The IUPAC name of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide (CID 68631280) is 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide is CN(C)CCN1CCN(c2ccc(C(=O)NCCc3ccccc3F)cc2C(N)=O)CC1.
What is the InChIKey of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
The InChIKey is MNAAGEAFRHPHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FN5O2/c1-28(2)11-12-29-13-15-30(16-14-29)22-8-7-19(17-20(22)23(26)31)24(32)27-10-9-18-5-3-4-6-21(18)25/h3-8,17H,9-16H2,1-2H3,(H2,26,31)(H,27,32).
What are the key properties of 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide?
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide has a molecular weight of 441.55 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 68631280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).