3-benzhydrylidene-1-benzylpiperidin-4-one

C25H23NO — CID 56668293

IUPAC3-benzhydrylidene-1-benzylpiperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)CC1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO/c27-24-16-17-26(18-20-10-4-1-5-11-20)19-23(24)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2
InChIKeyVHMXHUVPHDXQCV-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.96
Rot. Bonds4

About 3-benzhydrylidene-1-benzylpiperidin-4-one

3-benzhydrylidene-1-benzylpiperidin-4-one (PubChem CID 56668293) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-benzhydrylidene-1-benzylpiperidin-4-one.

Molecular Properties

Compound Name3-benzhydrylidene-1-benzylpiperidin-4-one
PubChem CID56668293
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name3-benzhydrylidene-1-benzylpiperidin-4-one
SMILESO=C1CCN(Cc2ccccc2)CC1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H23NO/c27-24-16-17-26(18-20-10-4-1-5-11-20)19-23(24)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2
InChIKeyVHMXHUVPHDXQCV-UHFFFAOYSA-N
XLogP4.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylidene-1-benzylpiperidin-4-one?
The IUPAC name of 3-benzhydrylidene-1-benzylpiperidin-4-one (CID 56668293) is 3-benzhydrylidene-1-benzylpiperidin-4-one.
What is the SMILES notation for 3-benzhydrylidene-1-benzylpiperidin-4-one?
The canonical SMILES for 3-benzhydrylidene-1-benzylpiperidin-4-one is O=C1CCN(Cc2ccccc2)CC1=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydrylidene-1-benzylpiperidin-4-one?
The InChIKey is VHMXHUVPHDXQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c27-24-16-17-26(18-20-10-4-1-5-11-20)19-23(24)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15H,16-19H2.
What are the key properties of 3-benzhydrylidene-1-benzylpiperidin-4-one?
3-benzhydrylidene-1-benzylpiperidin-4-one has a molecular weight of 353.47 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylidene-1-benzylpiperidin-4-one is sourced from PubChem (CID 56668293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).