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

C20H24FN3O — CID 719495

IUPACN-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccccc1N1CCN(CCC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O/c1-16-4-2-3-5-19(16)24-14-12-23(13-15-24)11-10-20(25)22-18-8-6-17(21)7-9-18/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyIORQHKRTMBGJJY-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.28
Rot. Bonds5

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

N-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide (PubChem CID 719495) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide
PubChem CID719495
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide
SMILESCc1ccccc1N1CCN(CCC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C20H24FN3O/c1-16-4-2-3-5-19(16)24-14-12-23(13-15-24)11-10-20(25)22-18-8-6-17(21)7-9-18/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyIORQHKRTMBGJJY-UHFFFAOYSA-N
XLogP3.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide (CID 719495) is N-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide is Cc1ccccc1N1CCN(CCC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide?
The InChIKey is IORQHKRTMBGJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-16-4-2-3-5-19(16)24-14-12-23(13-15-24)11-10-20(25)22-18-8-6-17(21)7-9-18/h2-9H,10-15H2,1H3,(H,22,25).
What are the key properties of N-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide?
N-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide has a molecular weight of 341.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[4-(2-methylphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 719495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).