furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone

C18H25N3O2 — CID 164632562

IUPACfuran-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnc(C[C@H]2CCCN(C(=O)c3ccoc3)C2)n1C(C)C
InChIInChI=1S/C18H25N3O2/c1-13(2)21-14(3)10-19-17(21)9-15-5-4-7-20(11-15)18(22)16-6-8-23-12-16/h6,8,10,12-13,15H,4-5,7,9,11H2,1-3H3/t15-/m1/s1
InChIKeyJILAXNQWRCUZKW-OAHLLOKOSA-N
MW315.42 g/mol
LogP3.46
Rot. Bonds4

About furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone

furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone (PubChem CID 164632562) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone
PubChem CID164632562
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Namefuran-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnc(C[C@H]2CCCN(C(=O)c3ccoc3)C2)n1C(C)C
InChIInChI=1S/C18H25N3O2/c1-13(2)21-14(3)10-19-17(21)9-15-5-4-7-20(11-15)18(22)16-6-8-23-12-16/h6,8,10,12-13,15H,4-5,7,9,11H2,1-3H3/t15-/m1/s1
InChIKeyJILAXNQWRCUZKW-OAHLLOKOSA-N
XLogP3.46
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone (CID 164632562) is furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone is Cc1cnc(C[C@H]2CCCN(C(=O)c3ccoc3)C2)n1C(C)C.
What is the InChIKey of furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is JILAXNQWRCUZKW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(2)21-14(3)10-19-17(21)9-15-5-4-7-20(11-15)18(22)16-6-8-23-12-16/h6,8,10,12-13,15H,4-5,7,9,11H2,1-3H3/t15-/m1/s1.
What are the key properties of furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone?
furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[(3R)-3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 164632562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).