2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

C19H21ClFN5O2 — CID 24792046

IUPAC2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
SMILESCN(Cc1cnccn1)C(=O)CC1C(=O)NCCN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C19H21ClFN5O2/c1-25(12-15-10-22-4-5-23-15)18(27)9-17-19(28)24-6-7-26(17)11-13-2-3-14(21)8-16(13)20/h2-5,8,10,17H,6-7,9,11-12H2,1H3,(H,24,28)
InChIKeyMWZVAIBOLFIDCL-UHFFFAOYSA-N
MW405.86 g/mol
LogP1.62
Rot. Bonds6

About 2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide

2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide (PubChem CID 24792046) has the molecular formula C19H21ClFN5O2 and a molecular weight of 405.86 g/mol. Its IUPAC name is 2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
PubChem CID24792046
Molecular FormulaC19H21ClFN5O2
Molecular Weight405.86 g/mol
Exact Mass405.14
IUPAC Name2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide
SMILESCN(Cc1cnccn1)C(=O)CC1C(=O)NCCN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C19H21ClFN5O2/c1-25(12-15-10-22-4-5-23-15)18(27)9-17-19(28)24-6-7-26(17)11-13-2-3-14(21)8-16(13)20/h2-5,8,10,17H,6-7,9,11-12H2,1H3,(H,24,28)
InChIKeyMWZVAIBOLFIDCL-UHFFFAOYSA-N
XLogP1.62
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide (CID 24792046) is 2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide is CN(Cc1cnccn1)C(=O)CC1C(=O)NCCN1Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
The InChIKey is MWZVAIBOLFIDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O2/c1-25(12-15-10-22-4-5-23-15)18(27)9-17-19(28)24-6-7-26(17)11-13-2-3-14(21)8-16(13)20/h2-5,8,10,17H,6-7,9,11-12H2,1H3,(H,24,28).
What are the key properties of 2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide?
2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide has a molecular weight of 405.86 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chloro-4-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(pyrazin-2-ylmethyl)acetamide is sourced from PubChem (CID 24792046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).