2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone

C26H25NO — CID 110183664

IUPAC2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
SMILESO=C(CN1CCC(=C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H25NO/c28-25(21-10-4-1-5-11-21)20-27-18-16-24(17-19-27)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKeyHYPUSHFIUADXPP-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.47
Rot. Bonds5

About 2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone

2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone (PubChem CID 110183664) has the molecular formula C26H25NO and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
PubChem CID110183664
Molecular FormulaC26H25NO
Molecular Weight367.49 g/mol
Exact Mass367.19
IUPAC Name2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
SMILESO=C(CN1CCC(=C(c2ccccc2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C26H25NO/c28-25(21-10-4-1-5-11-21)20-27-18-16-24(17-19-27)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H,16-20H2
InChIKeyHYPUSHFIUADXPP-UHFFFAOYSA-N
XLogP5.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide
CID 58820394
4-benzhydrylidene-1-ethylpiperidine
CID 19370284
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
CID 59641773
2-methylpropyl 2-(4-benzhydrylidenepiperidin-1-yl)acetate
CID 10138983
1-phenacyl-1,4-diazepan-5-one
CID 63004139
2-(4-benzoylpiperazin-1-yl)-1-phenylethanone
CID 3599210
oxalic acid;oxan-4-yl 2-(4-benzhydrylidenepiperidin-1-yl)acetate
CID 10184383
2-(4-benzhydrylpiperazin-1-yl)-1-phenylethanone
CID 10339151
N-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]benzamide
CID 10598845
1-phenyl-2-(3-sulfanylazetidin-1-yl)ethanone
CID 18792641
2-[4-(oxiran-2-yl)piperidin-1-yl]-1-phenylethanone
CID 59305185
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone?
The IUPAC name of 2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone (CID 110183664) is 2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone.
What is the SMILES notation for 2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone?
The canonical SMILES for 2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone is O=C(CN1CCC(=C(c2ccccc2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone?
The InChIKey is HYPUSHFIUADXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO/c28-25(21-10-4-1-5-11-21)20-27-18-16-24(17-19-27)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-15H,16-20H2.
What are the key properties of 2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone?
2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone has a molecular weight of 367.49 g/mol, XLogP of 5.47, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone is sourced from PubChem (CID 110183664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).