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

C13H22N4O2 — CID 113331263

IUPACmethyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate
SMILESCCn1ccnc1N1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C13H22N4O2/c1-3-16-7-5-14-13(16)17-10-8-15(9-11-17)6-4-12(18)19-2/h5,7H,3-4,6,8-11H2,1-2H3
InChIKeyXJTNHPXTHFHMPE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.59
Rot. Bonds5

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

methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate (PubChem CID 113331263) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate
PubChem CID113331263
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate
SMILESCCn1ccnc1N1CCN(CCC(=O)OC)CC1
InChIInChI=1S/C13H22N4O2/c1-3-16-7-5-14-13(16)17-10-8-15(9-11-17)6-4-12(18)19-2/h5,7H,3-4,6,8-11H2,1-2H3
InChIKeyXJTNHPXTHFHMPE-UHFFFAOYSA-N
XLogP0.59
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chloroethyl)-4-(1-ethylimidazol-2-yl)-1,4-diazepane
CID 55184601
methyl 3-[4-(5-iodopyrimidin-2-yl)piperazin-1-yl]propanoate
CID 104843535
methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate
CID 80703579
2-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide;dihydrochloride
CID 45284369
(3,5-dimethoxyphenyl)-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 71779993
methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
CID 106504838
methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate
CID 115538512
1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-2-propylpentan-1-one
CID 42111025
methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate
CID 81422160
[4-(1-ethylimidazol-2-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 25284874
methyl 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoate
CID 78977347
3-cyclohexyl-1-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propan-1-one;hydrochloride
CID 45284187

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate (CID 113331263) is methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate is CCn1ccnc1N1CCN(CCC(=O)OC)CC1.
What is the InChIKey of methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate?
The InChIKey is XJTNHPXTHFHMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-16-7-5-14-13(16)17-10-8-15(9-11-17)6-4-12(18)19-2/h5,7H,3-4,6,8-11H2,1-2H3.
What are the key properties of methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate?
methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate has a molecular weight of 266.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate is sourced from PubChem (CID 113331263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).