N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide

C20H24FN3O — CID 42266695

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H24FN3O/c1-16-3-2-4-17(15-16)20(25)22-9-10-23-11-13-24(14-12-23)19-7-5-18(21)6-8-19/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyUYLGJXBLGFACLV-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.69
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide (PubChem CID 42266695) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
PubChem CID42266695
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C20H24FN3O/c1-16-3-2-4-17(15-16)20(25)22-9-10-23-11-13-24(14-12-23)19-7-5-18(21)6-8-19/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyUYLGJXBLGFACLV-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide 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 N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide (CID 42266695) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide?
The InChIKey is UYLGJXBLGFACLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-16-3-2-4-17(15-16)20(25)22-9-10-23-11-13-24(14-12-23)19-7-5-18(21)6-8-19/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide has a molecular weight of 341.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 42266695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).