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

C20H24FN3O2 — CID 1342622

IUPAC3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H24FN3O2/c1-26-17-6-4-5-16(15-17)22-20(25)9-10-23-11-13-24(14-12-23)19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyMQKVZUVMMMSGQA-UHFFFAOYSA-N
MW357.43 g/mol
LogP2.99
Rot. Bonds6

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

3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 1342622) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID1342622
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H24FN3O2/c1-26-17-6-4-5-16(15-17)22-20(25)9-10-23-11-13-24(14-12-23)19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyMQKVZUVMMMSGQA-UHFFFAOYSA-N
XLogP2.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide (CID 1342622) is 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide is COc1cccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is MQKVZUVMMMSGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-26-17-6-4-5-16(15-17)22-20(25)9-10-23-11-13-24(14-12-23)19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide?
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 357.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 1342622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).