2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone

C26H27NO — CID 24720516

IUPAC2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H27NO/c28-26(20-21-7-3-1-4-8-21)27-17-15-23(16-18-27)19-22-11-13-25(14-12-22)24-9-5-2-6-10-24/h1-14,23H,15-20H2
InChIKeyIHSNNTACBMVDEX-UHFFFAOYSA-N
MW369.51 g/mol
LogP5.38
Rot. Bonds5

About 2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone

2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 24720516) has the molecular formula C26H27NO and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
PubChem CID24720516
Molecular FormulaC26H27NO
Molecular Weight369.51 g/mol
Exact Mass369.21
IUPAC Name2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H27NO/c28-26(20-21-7-3-1-4-8-21)27-17-15-23(16-18-27)19-22-11-13-25(14-12-22)24-9-5-2-6-10-24/h1-14,23H,15-20H2
InChIKeyIHSNNTACBMVDEX-UHFFFAOYSA-N
XLogP5.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.51
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[4-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]phenyl]-2H-phthalazin-1-one
CID 118556646
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23827029
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
1-[4-(tert-butylsulfonylmethyl)piperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 58143733
1-(4-benzylpiperidin-1-yl)-2-(2-phenyl-1,3-thiazol-4-yl)ethanone
CID 39081188
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
1-(4-methylsulfonylpiperidin-1-yl)-2-(4-phenylphenyl)ethanone
CID 90585167
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289456
(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one
CID 92757331
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone (CID 24720516) is 2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCC(Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of 2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is IHSNNTACBMVDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO/c28-26(20-21-7-3-1-4-8-21)27-17-15-23(16-18-27)19-22-11-13-25(14-12-22)24-9-5-2-6-10-24/h1-14,23H,15-20H2.
What are the key properties of 2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone?
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 369.51 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 24720516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).