3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one

C31H37N3O — CID 46233564

IUPAC3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)C2CCNCC2)CC1
InChIInChI=1S/C31H37N3O/c35-30(24-29(25-10-4-1-5-11-25)26-12-6-2-7-13-26)33-20-22-34(23-21-33)31(27-14-8-3-9-15-27)28-16-18-32-19-17-28/h1-15,28-29,31-32H,16-24H2
InChIKeyCNSYGZOEIHDOQH-UHFFFAOYSA-N
MW467.66 g/mol
LogP5.09
Rot. Bonds7

About 3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one

3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 46233564) has the molecular formula C31H37N3O and a molecular weight of 467.66 g/mol. Its IUPAC name is 3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID46233564
Molecular FormulaC31H37N3O
Molecular Weight467.66 g/mol
Exact Mass467.29
IUPAC Name3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)C2CCNCC2)CC1
InChIInChI=1S/C31H37N3O/c35-30(24-29(25-10-4-1-5-11-25)26-12-6-2-7-13-26)33-20-22-34(23-21-33)31(27-14-8-3-9-15-27)28-16-18-32-19-17-28/h1-15,28-29,31-32H,16-24H2
InChIKeyCNSYGZOEIHDOQH-UHFFFAOYSA-N
XLogP5.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.66
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one (CID 46233564) is 3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one is O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)C2CCNCC2)CC1.
What is the InChIKey of 3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is CNSYGZOEIHDOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O/c35-30(24-29(25-10-4-1-5-11-25)26-12-6-2-7-13-26)33-20-22-34(23-21-33)31(27-14-8-3-9-15-27)28-16-18-32-19-17-28/h1-15,28-29,31-32H,16-24H2.
What are the key properties of 3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one?
3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 467.66 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1-[4-[phenyl(piperidin-4-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 46233564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).