4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C15H25N5O2 — CID 154739436

IUPAC4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCC(C)[C@@H](C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)N(C)C
InChIInChI=1S/C15H25N5O2/c1-11(2)14(17(3)4)15(22)19-6-7-20(13(21)10-19)12-8-16-18(5)9-12/h8-9,11,14H,6-7,10H2,1-5H3/t14-/m0/s1
InChIKeyJMCOVCBOISAPKN-AWEZNQCLSA-N
MW307.40 g/mol
LogP0.18
Rot. Bonds4

About 4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 154739436) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID154739436
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCC(C)[C@@H](C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)N(C)C
InChIInChI=1S/C15H25N5O2/c1-11(2)14(17(3)4)15(22)19-6-7-20(13(21)10-19)12-8-16-18(5)9-12/h8-9,11,14H,6-7,10H2,1-5H3/t14-/m0/s1
InChIKeyJMCOVCBOISAPKN-AWEZNQCLSA-N
XLogP0.18
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-2-amino-3-phenylpropanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
CID 119329138
4-(3-aminocyclopentanecarbonyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 119793437
1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
CID 127850919
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71861162
4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 119951749
N-(4-methylcyclohexyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 75408355
N-(2,2-difluoroethyl)-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109434389
N-[2-cyclohexyl-2-(dimethylamino)ethyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109432829
N'-methyl-4-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylpropyl)-3-oxopiperazine-1-carboximidamide
CID 109434837
4-[(1R,3S)-3-aminocyclohexanecarbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 124696393
3-[[N-methyl-C-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]carbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109433270
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109433909

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 154739436) is 4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is CC(C)[C@@H](C(=O)N1CCN(c2cnn(C)c2)C(=O)C1)N(C)C.
What is the InChIKey of 4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is JMCOVCBOISAPKN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11(2)14(17(3)4)15(22)19-6-7-20(13(21)10-19)12-8-16-18(5)9-12/h8-9,11,14H,6-7,10H2,1-5H3/t14-/m0/s1.
What are the key properties of 4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 307.40 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 154739436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).