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

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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).