methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate

C15H26N4O2 — CID 115537122

IUPACmethyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(Cc2cncn2C(C)C)CC1
InChIInChI=1S/C15H26N4O2/c1-13(2)19-12-16-10-14(19)11-18-8-6-17(7-9-18)5-4-15(20)21-3/h10,12-13H,4-9,11H2,1-3H3
InChIKeyFUSOIUZNOXFXST-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.14
Rot. Bonds6

About methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate

methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate (PubChem CID 115537122) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate
PubChem CID115537122
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Namemethyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(Cc2cncn2C(C)C)CC1
InChIInChI=1S/C15H26N4O2/c1-13(2)19-12-16-10-14(19)11-18-8-6-17(7-9-18)5-4-15(20)21-3/h10,12-13H,4-9,11H2,1-3H3
InChIKeyFUSOIUZNOXFXST-UHFFFAOYSA-N
XLogP1.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate 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

N,N-diisopropyl-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxamide
CID 56889516
2-[4-[(3-Propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 66153268
4-[(1-isopropyl-1H-imidazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 77085237
N-[(1-isopropyl-1H-imidazol-5-yl)methyl]-N-methyl-2-morpholin-4-ylethanamine
CID 91776525
(2S)-N-[(3-ethylimidazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 124753447
1-[(3-Methylimidazol-4-yl)methyl]-4-propan-2-ylpiperazine
CID 137964835
Methyl 3-[4-(trifluoromethyl)imidazol-1-yl]propanoate
CID 144028878
N,N-dimethyl-1-(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methanamine;bis(2,2,2-trifluoroacetic acid)
CID 155842079
N-ethyl-N-[(7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155859516
N-ethyl-N-[(7-propan-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl)methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155862984
ethyl 4-(1H-imidazol-5-ylmethyl)piperazine-2-carboxylate
CID 20641690
Ethyl 3-(4-methylimidazol-1-yl)butanoate
CID 22091060

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate (CID 115537122) is methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate is COC(=O)CCN1CCN(Cc2cncn2C(C)C)CC1.
What is the InChIKey of methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate?
The InChIKey is FUSOIUZNOXFXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-13(2)19-12-16-10-14(19)11-18-8-6-17(7-9-18)5-4-15(20)21-3/h10,12-13H,4-9,11H2,1-3H3.
What are the key properties of methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate?
methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate has a molecular weight of 294.40 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(3-propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 115537122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).