4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one

C21H23N5O2 — CID 53194606

IUPAC4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCN(C(=O)CCc3ccccc3)CC2)nc2ccncc21
InChIInChI=1S/C21H23N5O2/c1-24-18-15-22-10-9-17(18)23-20(21(24)28)26-13-11-25(12-14-26)19(27)8-7-16-5-3-2-4-6-16/h2-6,9-10,15H,7-8,11-14H2,1H3
InChIKeyRFKHCQWAYDSNBC-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.61
Rot. Bonds4

About 4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one

4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one (PubChem CID 53194606) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
PubChem CID53194606
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCN(C(=O)CCc3ccccc3)CC2)nc2ccncc21
InChIInChI=1S/C21H23N5O2/c1-24-18-15-22-10-9-17(18)23-20(21(24)28)26-13-11-25(12-14-26)19(27)8-7-16-5-3-2-4-6-16/h2-6,9-10,15H,7-8,11-14H2,1H3
InChIKeyRFKHCQWAYDSNBC-UHFFFAOYSA-N
XLogP1.61
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194575
4-methyl-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194578
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194609
1-benzyl-3-[4-[3-(4-methoxyphenyl)propanoyl]piperazin-1-yl]quinoxalin-2-one
CID 50837579
2-[4-[2-(3,4-difluorophenoxy)acetyl]piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194614
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194582
2-(4-benzoylpiperazin-1-yl)-4-(2-methylpropyl)pyrido[3,4-b]pyrazin-3-one
CID 53194727
1-[3-[3-(2-methoxyethyl)imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 53194816
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
2-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-4-ethylpyrido[3,4-b]pyrazin-3-one
CID 53194637
3-(4-methoxyphenyl)-1-[(3S)-3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]propan-1-one
CID 95112570

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one (CID 53194606) is 4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one is Cn1c(=O)c(N2CCN(C(=O)CCc3ccccc3)CC2)nc2ccncc21.
What is the InChIKey of 4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one?
The InChIKey is RFKHCQWAYDSNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-24-18-15-22-10-9-17(18)23-20(21(24)28)26-13-11-25(12-14-26)19(27)8-7-16-5-3-2-4-6-16/h2-6,9-10,15H,7-8,11-14H2,1H3.
What are the key properties of 4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one?
4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one has a molecular weight of 377.45 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 53194606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).