2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine

C14H19N5O — CID 97433711

IUPAC2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine
SMILESCOc1nccnc1N1CCC[C@H](Cn2ccnc2)C1
InChIInChI=1S/C14H19N5O/c1-20-14-13(16-4-5-17-14)19-7-2-3-12(10-19)9-18-8-6-15-11-18/h4-6,8,11-12H,2-3,7,9-10H2,1H3/t12-/m1/s1
InChIKeySJHYENRVMVBVKF-GFCCVEGCSA-N
MW273.34 g/mol
LogP1.60
Rot. Bonds4

About 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine

2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine (PubChem CID 97433711) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine.

Molecular Properties

Compound Name2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine
PubChem CID97433711
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine
SMILESCOc1nccnc1N1CCC[C@H](Cn2ccnc2)C1
InChIInChI=1S/C14H19N5O/c1-20-14-13(16-4-5-17-14)19-7-2-3-12(10-19)9-18-8-6-15-11-18/h4-6,8,11-12H,2-3,7,9-10H2,1H3/t12-/m1/s1
InChIKeySJHYENRVMVBVKF-GFCCVEGCSA-N
XLogP1.60
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine?
The IUPAC name of 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine (CID 97433711) is 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine.
What is the SMILES notation for 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine?
The canonical SMILES for 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine is COc1nccnc1N1CCC[C@H](Cn2ccnc2)C1.
What is the InChIKey of 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine?
The InChIKey is SJHYENRVMVBVKF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O/c1-20-14-13(16-4-5-17-14)19-7-2-3-12(10-19)9-18-8-6-15-11-18/h4-6,8,11-12H,2-3,7,9-10H2,1H3/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine?
2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine has a molecular weight of 273.34 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-3-methoxypyrazine is sourced from PubChem (CID 97433711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).