2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one

C21H29N5O2 — CID 53194575

IUPAC2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCN(C(=O)CCC3CCCCC3)CC2)nc2ccncc21
InChIInChI=1S/C21H29N5O2/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/h9-10,15-16H,2-8,11-14H2,1H3
InChIKeyKRXAIFWJAYKETJ-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.34
Rot. Bonds4

About 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one

2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one (PubChem CID 53194575) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Name2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
PubChem CID53194575
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
SMILESCn1c(=O)c(N2CCN(C(=O)CCC3CCCCC3)CC2)nc2ccncc21
InChIInChI=1S/C21H29N5O2/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/h9-10,15-16H,2-8,11-14H2,1H3
InChIKeyKRXAIFWJAYKETJ-UHFFFAOYSA-N
XLogP2.34
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]pyrido[3,4-b]pyrazin-3-one
CID 53194606
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
2-[4-(2-chloro-4-fluorobenzoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one
CID 53194582
3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133283854
2-[1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]ethyl]-3-methylquinazolin-4-one
CID 42714371
2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-4-propan-2-ylpyrido[3,4-b]pyrazin-3-one
CID 53194675
3-cyclohexyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 898320
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-[(3R)-1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 97270149
N-methyl-4-[4-(2-methylpropyl)-3-oxopyrido[3,4-b]pyrazin-2-yl]piperazine-1-carboxamide
CID 53194749
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951447

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
The IUPAC name of 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one (CID 53194575) is 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one.
What is the SMILES notation for 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
The canonical SMILES for 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one is Cn1c(=O)c(N2CCN(C(=O)CCC3CCCCC3)CC2)nc2ccncc21.
What is the InChIKey of 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
The InChIKey is KRXAIFWJAYKETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/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/h9-10,15-16H,2-8,11-14H2,1H3.
What are the key properties of 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one?
2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one has a molecular weight of 383.50 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-methylpyrido[3,4-b]pyrazin-3-one is sourced from PubChem (CID 53194575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).