furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone

C20H19N3O2 — CID 53137575

IUPACfuran-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCCC(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C20H19N3O2/c24-20(18-9-5-13-25-18)23-12-4-8-16(14-23)17-10-11-21-19(22-17)15-6-2-1-3-7-15/h1-3,5-7,9-11,13,16H,4,8,12,14H2
InChIKeyBBFTXCWSBOHOFM-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.76
Rot. Bonds3

About furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone

furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone (PubChem CID 53137575) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
PubChem CID53137575
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namefuran-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCCC(c2ccnc(-c3ccccc3)n2)C1
InChIInChI=1S/C20H19N3O2/c24-20(18-9-5-13-25-18)23-12-4-8-16(14-23)17-10-11-21-19(22-17)15-6-2-1-3-7-15/h1-3,5-7,9-11,13,16H,4,8,12,14H2
InChIKeyBBFTXCWSBOHOFM-UHFFFAOYSA-N
XLogP3.76
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone (CID 53137575) is furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone is O=C(c1ccco1)N1CCCC(c2ccnc(-c3ccccc3)n2)C1.
What is the InChIKey of furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone?
The InChIKey is BBFTXCWSBOHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(18-9-5-13-25-18)23-12-4-8-16(14-23)17-10-11-21-19(22-17)15-6-2-1-3-7-15/h1-3,5-7,9-11,13,16H,4,8,12,14H2.
What are the key properties of furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone?
furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone has a molecular weight of 333.39 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(2-phenylpyrimidin-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53137575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).