3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine

C17H25N5O — CID 72919782

IUPAC3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine
SMILESCOCCn1ccnc1C1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C17H25N5O/c1-13-12-19-14(2)16(20-13)21-7-4-15(5-8-21)17-18-6-9-22(17)10-11-23-3/h6,9,12,15H,4-5,7-8,10-11H2,1-3H3
InChIKeySRPXVFZKYKPXEX-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.32
Rot. Bonds5

About 3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine

3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine (PubChem CID 72919782) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine
PubChem CID72919782
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine
SMILESCOCCn1ccnc1C1CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C17H25N5O/c1-13-12-19-14(2)16(20-13)21-7-4-15(5-8-21)17-18-6-9-22(17)10-11-23-3/h6,9,12,15H,4-5,7-8,10-11H2,1-3H3
InChIKeySRPXVFZKYKPXEX-UHFFFAOYSA-N
XLogP2.32
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 91923921
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CID 77096665
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CID 95415455
CID 95415455
CID 124059351
CID 124059351
CID 129610712
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CID 132442616
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CID 128977568
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CID 128977597
CID 128977597

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine?
The IUPAC name of 3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine (CID 72919782) is 3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine?
The canonical SMILES for 3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine is COCCn1ccnc1C1CCN(c2nc(C)cnc2C)CC1.
What is the InChIKey of 3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine?
The InChIKey is SRPXVFZKYKPXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13-12-19-14(2)16(20-13)21-7-4-15(5-8-21)17-18-6-9-22(17)10-11-23-3/h6,9,12,15H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine?
3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine has a molecular weight of 315.42 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-2,5-dimethylpyrazine is sourced from PubChem (CID 72919782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).