furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone

C20H25N3O2 — CID 171061356

IUPACfuran-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H25N3O2/c24-20(19-7-4-16-25-19)23-14-12-22(13-15-23)18-8-10-21(11-9-18)17-5-2-1-3-6-17/h1-7,16,18H,8-15H2
InChIKeyKVMLSNMTOXSTIK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.71
Rot. Bonds3

About furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone (PubChem CID 171061356) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone
PubChem CID171061356
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Namefuran-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C20H25N3O2/c24-20(19-7-4-16-25-19)23-14-12-22(13-15-23)18-8-10-21(11-9-18)17-5-2-1-3-6-17/h1-7,16,18H,8-15H2
InChIKeyKVMLSNMTOXSTIK-UHFFFAOYSA-N
XLogP2.71
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone (CID 171061356) is furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is KVMLSNMTOXSTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(19-7-4-16-25-19)23-14-12-22(13-15-23)18-8-10-21(11-9-18)17-5-2-1-3-6-17/h1-7,16,18H,8-15H2.
What are the key properties of furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(1-phenylpiperidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 171061356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).