2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide

C19H21F2N5O2 — CID 24791362

IUPAC2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)CC2C(=O)NCCN2Cc2cccc(F)c2F)cn1
InChIInChI=1S/C19H21F2N5O2/c1-12-8-24-14(9-23-12)10-25-17(27)7-16-19(28)22-5-6-26(16)11-13-3-2-4-15(20)18(13)21/h2-4,8-9,16H,5-7,10-11H2,1H3,(H,22,28)(H,25,27)
InChIKeyCLQOGYPFZQKYIJ-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.07
Rot. Bonds6

About 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide

2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (PubChem CID 24791362) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
PubChem CID24791362
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)CC2C(=O)NCCN2Cc2cccc(F)c2F)cn1
InChIInChI=1S/C19H21F2N5O2/c1-12-8-24-14(9-23-12)10-25-17(27)7-16-19(28)22-5-6-26(16)11-13-3-2-4-15(20)18(13)21/h2-4,8-9,16H,5-7,10-11H2,1H3,(H,22,28)(H,25,27)
InChIKeyCLQOGYPFZQKYIJ-UHFFFAOYSA-N
XLogP1.07
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]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 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (CID 24791362) is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)CC2C(=O)NCCN2Cc2cccc(F)c2F)cn1.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The InChIKey is CLQOGYPFZQKYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-12-8-24-14(9-23-12)10-25-17(27)7-16-19(28)22-5-6-26(16)11-13-3-2-4-15(20)18(13)21/h2-4,8-9,16H,5-7,10-11H2,1H3,(H,22,28)(H,25,27).
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide has a molecular weight of 389.41 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 24791362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).