2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

C18H24N6O — CID 95810894

IUPAC2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC[C@@H](c2nccnc2-n2ccnc2)C1)N1CCCC1
InChIInChI=1S/C18H24N6O/c25-16(23-9-1-2-10-23)13-22-8-3-4-15(12-22)17-18(21-6-5-20-17)24-11-7-19-14-24/h5-7,11,14-15H,1-4,8-10,12-13H2/t15-/m1/s1
InChIKeyJLURXSQXUFARSW-OAHLLOKOSA-N
MW340.43 g/mol
LogP1.46
Rot. Bonds4

About 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 95810894) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID95810894
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCC[C@@H](c2nccnc2-n2ccnc2)C1)N1CCCC1
InChIInChI=1S/C18H24N6O/c25-16(23-9-1-2-10-23)13-22-8-3-4-15(12-22)17-18(21-6-5-20-17)24-11-7-19-14-24/h5-7,11,14-15H,1-4,8-10,12-13H2/t15-/m1/s1
InChIKeyJLURXSQXUFARSW-OAHLLOKOSA-N
XLogP1.46
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 95810894) is 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCC[C@@H](c2nccnc2-n2ccnc2)C1)N1CCCC1.
What is the InChIKey of 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is JLURXSQXUFARSW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N6O/c25-16(23-9-1-2-10-23)13-22-8-3-4-15(12-22)17-18(21-6-5-20-17)24-11-7-19-14-24/h5-7,11,14-15H,1-4,8-10,12-13H2/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 340.43 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 95810894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).