(4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone

C23H24N2O2 — CID 1293145

IUPAC(4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H24N2O2/c1-18-21(12-17-27-18)23(26)25-15-13-24(14-16-25)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,17,22H,13-16H2,1H3
InChIKeyIPCLDGGLZUZXQJ-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.14
Rot. Bonds4

About (4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone

(4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone (PubChem CID 1293145) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone
PubChem CID1293145
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C23H24N2O2/c1-18-21(12-17-27-18)23(26)25-15-13-24(14-16-25)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,17,22H,13-16H2,1H3
InChIKeyIPCLDGGLZUZXQJ-UHFFFAOYSA-N
XLogP4.14
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone (CID 1293145) is (4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone?
The InChIKey is IPCLDGGLZUZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-18-21(12-17-27-18)23(26)25-15-13-24(14-16-25)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,17,22H,13-16H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone?
(4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 1293145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).