1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone

C28H30N2O2 — CID 78840764

IUPAC1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C28H30N2O2/c31-27(30-18-16-26(17-19-30)28(32)25-14-8-3-9-15-25)22-29(20-23-10-4-1-5-11-23)21-24-12-6-2-7-13-24/h1-15,26H,16-22H2
InChIKeyXTFQBTVHBRCNPZ-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.81
Rot. Bonds8

About 1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone

1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone (PubChem CID 78840764) has the molecular formula C28H30N2O2 and a molecular weight of 426.56 g/mol. Its IUPAC name is 1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone.

Molecular Properties

Compound Name1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone
PubChem CID78840764
Molecular FormulaC28H30N2O2
Molecular Weight426.56 g/mol
Exact Mass426.23
IUPAC Name1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone
SMILESO=C(c1ccccc1)C1CCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1
InChIInChI=1S/C28H30N2O2/c31-27(30-18-16-26(17-19-30)28(32)25-14-8-3-9-15-25)22-29(20-23-10-4-1-5-11-23)21-24-12-6-2-7-13-24/h1-15,26H,16-22H2
InChIKeyXTFQBTVHBRCNPZ-UHFFFAOYSA-N
XLogP4.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(dibenzylamino)ethanone
CID 119374335
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
1-(4-benzoylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 51329229
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645
3-amino-1-(4-benzoylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119699766
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-sulfonamide
CID 55483623
3-amino-1-(4-benzoylpiperidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119949267
1-(4-benzoylpiperidin-1-yl)-2-(4-chlorophenyl)sulfanylethanone
CID 2740764
2-[3-(4-benzoylpiperidin-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 51323644
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
benzyl 4-[4-[(dimethylamino)methyl]benzoyl]piperidine-1-carbodithioate;hydrochloride
CID 18326841
1-[2-(dibenzylamino)acetyl]-3-hydroxypiperidine-3-carboxylic acid
CID 154869321

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone?
The IUPAC name of 1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone (CID 78840764) is 1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone.
What is the SMILES notation for 1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone?
The canonical SMILES for 1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone is O=C(c1ccccc1)C1CCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone?
The InChIKey is XTFQBTVHBRCNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O2/c31-27(30-18-16-26(17-19-30)28(32)25-14-8-3-9-15-25)22-29(20-23-10-4-1-5-11-23)21-24-12-6-2-7-13-24/h1-15,26H,16-22H2.
What are the key properties of 1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone?
1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone has a molecular weight of 426.56 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzoylpiperidin-1-yl)-2-(dibenzylamino)ethanone is sourced from PubChem (CID 78840764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).