4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one

C22H28N4O2 — CID 178039942

IUPAC4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one
SMILESCc1cc(-c2cccc(C(=O)N3CCN(C)C(=O)C3CC(C)C)c2)cnc1N
InChIInChI=1S/C22H28N4O2/c1-14(2)10-19-22(28)25(4)8-9-26(19)21(27)17-7-5-6-16(12-17)18-11-15(3)20(23)24-13-18/h5-7,11-14,19H,8-10H2,1-4H3,(H2,23,24)
InChIKeyFXZGKEOMAJBLOB-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.97
Rot. Bonds4

About 4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one

4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one (PubChem CID 178039942) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one
PubChem CID178039942
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one
SMILESCc1cc(-c2cccc(C(=O)N3CCN(C)C(=O)C3CC(C)C)c2)cnc1N
InChIInChI=1S/C22H28N4O2/c1-14(2)10-19-22(28)25(4)8-9-26(19)21(27)17-7-5-6-16(12-17)18-11-15(3)20(23)24-13-18/h5-7,11-14,19H,8-10H2,1-4H3,(H2,23,24)
InChIKeyFXZGKEOMAJBLOB-UHFFFAOYSA-N
XLogP2.97
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[3-[4-methyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile
CID 178039819
4-[3-(6-amino-5-ethynyl-3-pyridinyl)benzoyl]-1-methyl-3-propylpiperazin-2-one
CID 178039903
2-amino-5-[3-[4-methyl-3-oxo-2-[2-(trifluoromethoxy)ethyl]piperazine-1-carbonyl]phenyl]pyridine-3-carbonitrile
CID 178039714
4-[3-(5-aminopyrazin-2-yl)benzoyl]-1-methyl-3-propylpiperazin-2-one
CID 178039818
3-amino-6-[3-[4-ethyl-2-(2-methylpropyl)-3-oxopiperazine-1-carbonyl]phenyl]pyrazine-2-carbonitrile
CID 178039776
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-butyl-1-methyl-4-(3-pyrimidin-2-ylbenzoyl)piperazin-2-one
CID 118774662
2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
CID 110284310
4-(3H-benzimidazole-5-carbonyl)-3-butyl-1-methylpiperazin-2-one
CID 70756865
(3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 124970385
3-(6-amino-5-methyl-3-pyridinyl)-N-[(2S)-2-ethoxybutyl]benzamide
CID 126437763
(3S)-3-butyl-1-methyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 96571377

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one (CID 178039942) is 4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one is Cc1cc(-c2cccc(C(=O)N3CCN(C)C(=O)C3CC(C)C)c2)cnc1N.
What is the InChIKey of 4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is FXZGKEOMAJBLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-14(2)10-19-22(28)25(4)8-9-26(19)21(27)17-7-5-6-16(12-17)18-11-15(3)20(23)24-13-18/h5-7,11-14,19H,8-10H2,1-4H3,(H2,23,24).
What are the key properties of 4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one?
4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 380.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-amino-5-methyl-3-pyridinyl)benzoyl]-1-methyl-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 178039942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).