[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone

C15H22N6O — CID 129341691

IUPAC[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(C)[nH]2)C[C@@H]1c1nccn1C
InChIInChI=1S/C15H22N6O/c1-4-20-7-8-21(15(22)12-9-17-11(2)18-12)10-13(20)14-16-5-6-19(14)3/h5-6,9,13H,4,7-8,10H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyZETUXDYNCCVRSU-CYBMUJFWSA-N
MW302.38 g/mol
LogP0.97
Rot. Bonds3

About [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone

[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone (PubChem CID 129341691) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
PubChem CID129341691
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC Name[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
SMILESCCN1CCN(C(=O)c2cnc(C)[nH]2)C[C@@H]1c1nccn1C
InChIInChI=1S/C15H22N6O/c1-4-20-7-8-21(15(22)12-9-17-11(2)18-12)10-13(20)14-16-5-6-19(14)3/h5-6,9,13H,4,7-8,10H2,1-3H3,(H,17,18)/t13-/m1/s1
InChIKeyZETUXDYNCCVRSU-CYBMUJFWSA-N
XLogP0.97
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-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-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129001271
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-ethyl-4-pyridinyl)methanone
CID 129340403
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129007007
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129338040
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129328537
[(3S)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(furan-3-yl)methanone
CID 129329973
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 128972777
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(6-methoxypyridazin-3-yl)methanone
CID 128971897
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 129007005
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 128997602
[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(3-methyloxolan-2-yl)methanone
CID 128997527
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 129332688

Frequently Asked Questions

What is the IUPAC name of [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The IUPAC name of [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone (CID 129341691) is [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone.
What is the SMILES notation for [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The canonical SMILES for [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone is CCN1CCN(C(=O)c2cnc(C)[nH]2)C[C@@H]1c1nccn1C.
What is the InChIKey of [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
The InChIKey is ZETUXDYNCCVRSU-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N6O/c1-4-20-7-8-21(15(22)12-9-17-11(2)18-12)10-13(20)14-16-5-6-19(14)3/h5-6,9,13H,4,7-8,10H2,1-3H3,(H,17,18)/t13-/m1/s1.
What are the key properties of [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone?
[(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone has a molecular weight of 302.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone is sourced from PubChem (CID 129341691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).