2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride

C13H16ClF2N3O2 — CID 110283945

IUPAC2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride
SMILESCl.NC(=O)CC1NCCN(Cc2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C13H15F2N3O2.ClH/c14-9-3-8(4-10(15)5-9)7-18-2-1-17-11(13(18)20)6-12(16)19;/h3-5,11,17H,1-2,6-7H2,(H2,16,19);1H
InChIKeyVUDPPTUYLOZYMO-UHFFFAOYSA-N
MW319.74 g/mol
LogP0.56
Rot. Bonds4

About 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride

2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride (PubChem CID 110283945) has the molecular formula C13H16ClF2N3O2 and a molecular weight of 319.74 g/mol. Its IUPAC name is 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride
PubChem CID110283945
Molecular FormulaC13H16ClF2N3O2
Molecular Weight319.74 g/mol
Exact Mass319.09
IUPAC Name2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride
SMILESCl.NC(=O)CC1NCCN(Cc2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C13H15F2N3O2.ClH/c14-9-3-8(4-10(15)5-9)7-18-2-1-17-11(13(18)20)6-12(16)19;/h3-5,11,17H,1-2,6-7H2,(H2,16,19);1H
InChIKeyVUDPPTUYLOZYMO-UHFFFAOYSA-N
XLogP0.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride 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 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride?
The IUPAC name of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride (CID 110283945) is 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride.
What is the SMILES notation for 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride?
The canonical SMILES for 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride is Cl.NC(=O)CC1NCCN(Cc2cc(F)cc(F)c2)C1=O.
What is the InChIKey of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride?
The InChIKey is VUDPPTUYLOZYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2.ClH/c14-9-3-8(4-10(15)5-9)7-18-2-1-17-11(13(18)20)6-12(16)19;/h3-5,11,17H,1-2,6-7H2,(H2,16,19);1H.
What are the key properties of 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride?
2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride has a molecular weight of 319.74 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetamide;hydrochloride is sourced from PubChem (CID 110283945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).