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

C19H22FN5O2 — CID 24793834

IUPAC2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2F)cn1
InChIInChI=1S/C19H22FN5O2/c1-13-9-23-15(10-22-13)11-24-18(26)8-17-19(27)21-6-7-25(17)12-14-4-2-3-5-16(14)20/h2-5,9-10,17H,6-8,11-12H2,1H3,(H,21,27)(H,24,26)
InChIKeyPVTVVQDUWFZRLT-UHFFFAOYSA-N
MW371.42 g/mol
LogP0.93
Rot. Bonds6

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

2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (PubChem CID 24793834) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
PubChem CID24793834
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide
SMILESCc1cnc(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2F)cn1
InChIInChI=1S/C19H22FN5O2/c1-13-9-23-15(10-22-13)11-24-18(26)8-17-19(27)21-6-7-25(17)12-14-4-2-3-5-16(14)20/h2-5,9-10,17H,6-8,11-12H2,1H3,(H,21,27)(H,24,26)
InChIKeyPVTVVQDUWFZRLT-UHFFFAOYSA-N
XLogP0.93
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide (CID 24793834) is 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is Cc1cnc(CNC(=O)CC2C(=O)NCCN2Cc2ccccc2F)cn1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
The InChIKey is PVTVVQDUWFZRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-13-9-23-15(10-22-13)11-24-18(26)8-17-19(27)21-6-7-25(17)12-14-4-2-3-5-16(14)20/h2-5,9-10,17H,6-8,11-12H2,1H3,(H,21,27)(H,24,26).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide?
2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide has a molecular weight of 371.42 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylpyrazin-2-yl)methyl]acetamide is sourced from PubChem (CID 24793834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).