2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one

C22H25N5O2 — CID 53194727

IUPAC2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)Cn1c(=O)c(N2CCN(C(=O)c3ccccc3)CC2)nc2ccncc21
InChIInChI=1S/C22H25N5O2/c1-16(2)15-27-19-14-23-9-8-18(19)24-20(22(27)29)25-10-12-26(13-11-25)21(28)17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyWXOXYSLDAWESMN-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.41
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one

2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one (PubChem CID 53194727) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
PubChem CID53194727
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
SMILESCC(C)Cn1c(=O)c(N2CCN(C(=O)c3ccccc3)CC2)nc2ccncc21
InChIInChI=1S/C22H25N5O2/c1-16(2)15-27-19-14-23-9-8-18(19)24-20(22(27)29)25-10-12-26(13-11-25)21(28)17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3
InChIKeyWXOXYSLDAWESMN-UHFFFAOYSA-N
XLogP2.41
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-chlorobenzoyl)piperazin-1-yl]-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194693
N-methyl-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194749
N-[(4-methylphenyl)methyl]-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194743
N-(2,3-dihydro-1H-inden-5-yl)-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194753
3-[4-(2-methoxybenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one
CID 53131556
1-(2-methylpropyl)-3-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]quinoxalin-2-one
CID 50838535
4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194606
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-ethylquinoxalin-2-one
CID 50835017
3-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-1-(2-methylpropyl)quinoxalin-2-one
CID 50838544
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
N-[3-[(3S)-3-[3-(2-methylpropyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidine-1-carbonyl]phenyl]acetamide
CID 97429558
phenyl-[4-(2-pyridin-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
CID 2480686

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one (CID 53194727) is 2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one is CC(C)Cn1c(=O)c(N2CCN(C(=O)c3ccccc3)CC2)nc2ccncc21.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one?
The InChIKey is WXOXYSLDAWESMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(2)15-27-19-14-23-9-8-18(19)24-20(22(27)29)25-10-12-26(13-11-25)21(28)17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3.
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one?
2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one has a molecular weight of 391.48 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 53194727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).