N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide

C22H28FN3O2 — CID 45168770

IUPACN-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(Cc3ccccc3F)C(CCO)C2)cc1
InChIInChI=1S/C22H28FN3O2/c1-17(28)24-20-8-6-18(7-9-20)14-25-11-12-26(21(16-25)10-13-27)15-19-4-2-3-5-22(19)23/h2-9,21,27H,10-16H2,1H3,(H,24,28)
InChIKeyMPQQTYTVRHDXJB-UHFFFAOYSA-N
MW385.48 g/mol
LogP2.85
Rot. Bonds7

About N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide

N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide (PubChem CID 45168770) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
PubChem CID45168770
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC NameN-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CN2CCN(Cc3ccccc3F)C(CCO)C2)cc1
InChIInChI=1S/C22H28FN3O2/c1-17(28)24-20-8-6-18(7-9-20)14-25-11-12-26(21(16-25)10-13-27)15-19-4-2-3-5-22(19)23/h2-9,21,27H,10-16H2,1H3,(H,24,28)
InChIKeyMPQQTYTVRHDXJB-UHFFFAOYSA-N
XLogP2.85
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide 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-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide (CID 45168770) is N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CN2CCN(Cc3ccccc3F)C(CCO)C2)cc1.
What is the InChIKey of N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide?
The InChIKey is MPQQTYTVRHDXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-17(28)24-20-8-6-18(7-9-20)14-25-11-12-26(21(16-25)10-13-27)15-19-4-2-3-5-22(19)23/h2-9,21,27H,10-16H2,1H3,(H,24,28).
What are the key properties of N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide?
N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide has a molecular weight of 385.48 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[(2-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetamide is sourced from PubChem (CID 45168770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).