3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide

C23H30FN3O — CID 110622313

IUPAC3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCc2ccc(F)cc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H30FN3O/c1-18-3-8-20(9-4-18)22(27-15-13-26(2)14-16-27)17-25-23(28)12-7-19-5-10-21(24)11-6-19/h3-6,8-11,22H,7,12-17H2,1-2H3,(H,25,28)
InChIKeyBZDBIKZRTAECQI-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.17
Rot. Bonds7

About 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide

3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide (PubChem CID 110622313) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
PubChem CID110622313
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
SMILESCc1ccc(C(CNC(=O)CCc2ccc(F)cc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C23H30FN3O/c1-18-3-8-20(9-4-18)22(27-15-13-26(2)14-16-27)17-25-23(28)12-7-19-5-10-21(24)11-6-19/h3-6,8-11,22H,7,12-17H2,1-2H3,(H,25,28)
InChIKeyBZDBIKZRTAECQI-UHFFFAOYSA-N
XLogP3.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]-N'-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 18578340
N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-methylphenyl)oxamide
CID 30632006
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506628
3-(furan-2-yl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 110302956
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-methyloxamide
CID 18578296
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110302964
N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-pyridin-3-ylbutanamide
CID 110622335
4-(4-methylphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 110302631
N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-propan-2-yloxamide
CID 30631931
2-(2-methoxyphenoxy)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 112504392

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide (CID 110622313) is 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide is Cc1ccc(C(CNC(=O)CCc2ccc(F)cc2)N2CCN(C)CC2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is BZDBIKZRTAECQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-18-3-8-20(9-4-18)22(27-15-13-26(2)14-16-27)17-25-23(28)12-7-19-5-10-21(24)11-6-19/h3-6,8-11,22H,7,12-17H2,1-2H3,(H,25,28).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide?
3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 383.51 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 110622313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).