4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one

C19H23N5O2 — CID 178039818

IUPAC4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one
SMILESCCCC1C(=O)N(C)CCN1C(=O)c1cccc(-c2cnc(N)cn2)c1
InChIInChI=1S/C19H23N5O2/c1-3-5-16-19(26)23(2)8-9-24(16)18(25)14-7-4-6-13(10-14)15-11-22-17(20)12-21-15/h4,6-7,10-12,16H,3,5,8-9H2,1-2H3,(H2,20,22)
InChIKeyRJRXJBUGJAASNK-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.81
Rot. Bonds4

About 4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one

4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one (PubChem CID 178039818) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one
PubChem CID178039818
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one
SMILESCCCC1C(=O)N(C)CCN1C(=O)c1cccc(-c2cnc(N)cn2)c1
InChIInChI=1S/C19H23N5O2/c1-3-5-16-19(26)23(2)8-9-24(16)18(25)14-7-4-6-13(10-14)15-11-22-17(20)12-21-15/h4,6-7,10-12,16H,3,5,8-9H2,1-2H3,(H2,20,22)
InChIKeyRJRXJBUGJAASNK-UHFFFAOYSA-N
XLogP1.81
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(6-amino-5-ethynyl-3-pyridinyl)benzoyl]-1-methyl-3-propylpiperazin-2-one
CID 178039903
3-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
CID 118774662
3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile
CID 178039819
4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one
CID 178039942
4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70756865
2-amino-5-[3-[4-methyl-3-oxo-2-[2-(trifluoromethoxy)ethyl]piperazine-1-carbonyl]phenyl]pyridine-3-carbonitrile
CID 178039714
(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377
3-(6-amino-5-chloro-3-pyridinyl)-N-[2-[6-[1-[3-(6-amino-5-chloro-3-pyridinyl)benzoyl]-4-methyl-3-oxopiperazin-2-yl]hexylamino]ethyl]benzamide
CID 178039845
3-(2-butyl-4-methyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 70741313
3-amino-6-[3-[4-ethyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile
CID 178039776
4-(2-anilinopyrimidine-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70778714
2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
CID 110284310

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one?
The IUPAC name of 4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one (CID 178039818) is 4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one.
What is the SMILES notation for 4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one?
The canonical SMILES for 4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one is CCCC1C(=O)N(C)CCN1C(=O)c1cccc(-c2cnc(N)cn2)c1.
What is the InChIKey of 4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one?
The InChIKey is RJRXJBUGJAASNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-3-5-16-19(26)23(2)8-9-24(16)18(25)14-7-4-6-13(10-14)15-11-22-17(20)12-21-15/h4,6-7,10-12,16H,3,5,8-9H2,1-2H3,(H2,20,22).
What are the key properties of 4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one?
4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one is sourced from PubChem (CID 178039818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).