methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate

C14H22N4O3 — CID 81422160

IUPACmethyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate
SMILESCCOc1cncc(N2CCN(CCC(=O)OC)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-3-21-13-11-15-10-12(16-13)18-8-6-17(7-9-18)5-4-14(19)20-2/h10-11H,3-9H2,1-2H3
InChIKeyUUPBAINWIWBKGU-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.56
Rot. Bonds6

About methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate

methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate (PubChem CID 81422160) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate
PubChem CID81422160
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Namemethyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate
SMILESCCOc1cncc(N2CCN(CCC(=O)OC)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-3-21-13-11-15-10-12(16-13)18-8-6-17(7-9-18)5-4-14(19)20-2/h10-11H,3-9H2,1-2H3
InChIKeyUUPBAINWIWBKGU-UHFFFAOYSA-N
XLogP0.56
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]propanoate
CID 106504838
methyl 3-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]propanoate
CID 78977347
3-[4-(6-methoxycarbonylpyrazin-2-yl)piperazin-1-yl]propanoic acid
CID 66454587
methyl 3-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]propanoate
CID 115538512
N-(2,5-dichlorophenyl)-3-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
CID 86959649
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
cyclopropyl-[4-(6-ethoxypyrazin-2-yl)-1,4-diazepan-1-yl]methanone
CID 133499195
2-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]phenol
CID 75383880
N-(cyclopropylmethyl)-1-(6-ethoxypyrazin-2-yl)piperidin-4-amine
CID 115307461
2-(4-bromopiperidin-1-yl)-6-ethoxypyrazine
CID 80674111
methyl 3-[4-(1-ethylimidazol-2-yl)piperazin-1-yl]propanoate
CID 113331263

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate (CID 81422160) is methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate is CCOc1cncc(N2CCN(CCC(=O)OC)CC2)n1.
What is the InChIKey of methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate?
The InChIKey is UUPBAINWIWBKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-21-13-11-15-10-12(16-13)18-8-6-17(7-9-18)5-4-14(19)20-2/h10-11H,3-9H2,1-2H3.
What are the key properties of methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate?
methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate has a molecular weight of 294.36 g/mol, XLogP of 0.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate is sourced from PubChem (CID 81422160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).