2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

C19H22FN5O2 — CID 24817141

IUPAC2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
SMILESCN(Cc1cnccn1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1
InChIInChI=1S/C19H22FN5O2/c1-24(13-16-11-21-5-6-22-16)18(26)10-17-19(27)23-7-8-25(17)12-14-3-2-4-15(20)9-14/h2-6,9,11,17H,7-8,10,12-13H2,1H3,(H,23,27)
InChIKeyQGNFZFUTGWYFKP-UHFFFAOYSA-N
MW371.42 g/mol
LogP0.96
Rot. Bonds6

About 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide (PubChem CID 24817141) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
PubChem CID24817141
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
SMILESCN(Cc1cnccn1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1
InChIInChI=1S/C19H22FN5O2/c1-24(13-16-11-21-5-6-22-16)18(26)10-17-19(27)23-7-8-25(17)12-14-3-2-4-15(20)9-14/h2-6,9,11,17H,7-8,10,12-13H2,1H3,(H,23,27)
InChIKeyQGNFZFUTGWYFKP-UHFFFAOYSA-N
XLogP0.96
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide (CID 24817141) is 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide is CN(Cc1cnccn1)C(=O)CC1C(=O)NCCN1Cc1cccc(F)c1.
What is the InChIKey of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The InChIKey is QGNFZFUTGWYFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-24(13-16-11-21-5-6-22-16)18(26)10-17-19(27)23-7-8-25(17)12-14-3-2-4-15(20)9-14/h2-6,9,11,17H,7-8,10,12-13H2,1H3,(H,23,27).
What are the key properties of 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide has a molecular weight of 371.42 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 24817141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).