[4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone

C15H19N5O — CID 103510289

IUPAC[4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCN(c2ccccc2N)CC1
InChIInChI=1S/C15H19N5O/c1-18-11-17-10-14(18)15(21)20-8-6-19(7-9-20)13-5-3-2-4-12(13)16/h2-5,10-11H,6-9,16H2,1H3
InChIKeyMKUKYADEEDNMLB-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.96
Rot. Bonds2

About [4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone

[4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone (PubChem CID 103510289) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
PubChem CID103510289
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
SMILESCn1cncc1C(=O)N1CCN(c2ccccc2N)CC1
InChIInChI=1S/C15H19N5O/c1-18-11-17-10-14(18)15(21)20-8-6-19(7-9-20)13-5-3-2-4-12(13)16/h2-5,10-11H,6-9,16H2,1H3
InChIKeyMKUKYADEEDNMLB-UHFFFAOYSA-N
XLogP0.96
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze [4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone 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

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 110854409
(3-methylimidazol-4-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110854226
4-(2-aminophenyl)piperazine-1-carboxylic acid
CID 68854737
1-(3-methylimidazole-4-carbonyl)piperidine-4-carboxylic acid
CID 103510374
[(3R)-3-aminopyrrolidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103511639
(4-hydroxy-4-methylpiperidin-1-yl)-(3-methylimidazol-4-yl)methanone
CID 103511374
1,4-diazepan-1-yl-(3-methylimidazol-4-yl)methanone
CID 83883938
4-(3-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 103511484
[3-(aminomethyl)azetidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103512267
[4-(3-amino-4-pyridinyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 43462403
[3-(aminomethyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 103510238
[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126813423

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone?
The IUPAC name of [4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone (CID 103510289) is [4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone?
The canonical SMILES for [4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone is Cn1cncc1C(=O)N1CCN(c2ccccc2N)CC1.
What is the InChIKey of [4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone?
The InChIKey is MKUKYADEEDNMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-18-11-17-10-14(18)15(21)20-8-6-19(7-9-20)13-5-3-2-4-12(13)16/h2-5,10-11H,6-9,16H2,1H3.
What are the key properties of [4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone?
[4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminophenyl)piperazin-1-yl]-(3-methylimidazol-4-yl)methanone is sourced from PubChem (CID 103510289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).