4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid

C10H14N4O3 — CID 57226807

IUPAC4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)Cc2cnc[nH]2)CC1
InChIInChI=1S/C10H14N4O3/c15-9(5-8-6-11-7-12-8)13-1-3-14(4-2-13)10(16)17/h6-7H,1-5H2,(H,11,12)(H,16,17)
InChIKeyDSAHMELLYFCOHM-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.23
Rot. Bonds2

About 4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid

4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid (PubChem CID 57226807) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid
PubChem CID57226807
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(C(=O)Cc2cnc[nH]2)CC1
InChIInChI=1S/C10H14N4O3/c15-9(5-8-6-11-7-12-8)13-1-3-14(4-2-13)10(16)17/h6-7H,1-5H2,(H,11,12)(H,16,17)
InChIKeyDSAHMELLYFCOHM-UHFFFAOYSA-N
XLogP-0.23
TPSA89.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-imidazol-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110684132
3-(1H-imidazol-5-yl)-1-piperidin-1-ylpropan-1-one
CID 110697826
methyl 3-[4-[[4-[4-[[4-[2-(1H-imidazol-5-yl)acetyl]piperazin-1-yl]-phenylmethyl]phenyl]phenyl]-phenylmethyl]piperazin-1-yl]-3-oxopropanoate
CID 166114821
1-(4-chlorophenyl)-3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]urea
CID 24898567
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(1H-imidazol-5-yl)ethanone
CID 132649139
2-(1H-imidazol-5-yl)acetamide;hydrochloride
CID 67500696
3-(1H-imidazol-5-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110697892
1-[4-(furan-2-ylmethyl)-6-hydroxy-1,4-diazepan-1-yl]-2-(1H-imidazol-5-yl)ethanone
CID 74240583
3-(1H-imidazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 112688781
1-(1H-imidazol-5-yl)-3-methylbutan-2-one
CID 59668993
3-(1H-imidazol-5-yl)-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 61188935
2-(1H-pyrrol-2-yl)-1-[4-[2-(1H-pyrrol-2-yl)acetyl]piperazin-1-yl]ethanone
CID 110815927

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid (CID 57226807) is 4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid is O=C(O)N1CCN(C(=O)Cc2cnc[nH]2)CC1.
What is the InChIKey of 4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid?
The InChIKey is DSAHMELLYFCOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-9(5-8-6-11-7-12-8)13-1-3-14(4-2-13)10(16)17/h6-7H,1-5H2,(H,11,12)(H,16,17).
What are the key properties of 4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid?
4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-imidazol-5-yl)acetyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 57226807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).