(2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid

C12H18N4O3 — CID 124623101

IUPAC(2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C12H18N4O3/c1-3-10(12(18)19)15-4-5-16(11(17)8-15)9-6-13-14(2)7-9/h6-7,10H,3-5,8H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyDQNSXBJLQSDEBK-JTQLQIEISA-N
MW266.30 g/mol
LogP-0.07
Rot. Bonds4

About (2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid

(2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid (PubChem CID 124623101) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid
PubChem CID124623101
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCN(c2cnn(C)c2)C(=O)C1
InChIInChI=1S/C12H18N4O3/c1-3-10(12(18)19)15-4-5-16(11(17)8-15)9-6-13-14(2)7-9/h6-7,10H,3-5,8H2,1-2H3,(H,18,19)/t10-/m0/s1
InChIKeyDQNSXBJLQSDEBK-JTQLQIEISA-N
XLogP-0.07
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-3-oxo-1,4-diazepan-1-yl)butanoic acid
CID 102889475
1-(1-methylpyrazol-4-yl)-4-[(1S)-1-pyrazin-2-ylethyl]piperazin-2-one
CID 124617538
2-[4-(2-methylpropyl)-3-oxopiperazin-1-yl]butanoic acid
CID 122099739
5-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]pyrazine-2-carboxylic acid
CID 122054198
4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 119951749
4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 154739436
4-[(2S)-2-amino-3-phenylpropanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one;hydrochloride
CID 119329138
N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxo-N-propylpiperazine-1-carboximidamide
CID 109433357
(2R)-2-[4-[(4-chlorophenyl)methyl]-3-oxopiperazin-1-yl]butanoic acid
CID 129401535
4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 110009222
4-(4,6-dimethylpyrimidin-2-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 71976819
N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71976492

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid?
The IUPAC name of (2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid (CID 124623101) is (2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid.
What is the SMILES notation for (2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid?
The canonical SMILES for (2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid is CC[C@@H](C(=O)O)N1CCN(c2cnn(C)c2)C(=O)C1.
What is the InChIKey of (2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid?
The InChIKey is DQNSXBJLQSDEBK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N4O3/c1-3-10(12(18)19)15-4-5-16(11(17)8-15)9-6-13-14(2)7-9/h6-7,10H,3-5,8H2,1-2H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid?
(2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]butanoic acid is sourced from PubChem (CID 124623101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).