3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one

C31H42N2O2 — CID 73213851

IUPAC3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one
SMILESCC(C)(c1ccc(C(=O)CCN2CCCCC2)cc1)c1cccc(C(=O)CCN2CCCCC2)c1
InChIInChI=1S/C31H42N2O2/c1-31(2,27-14-12-25(13-15-27)29(34)16-22-32-18-5-3-6-19-32)28-11-9-10-26(24-28)30(35)17-23-33-20-7-4-8-21-33/h9-15,24H,3-8,16-23H2,1-2H3
InChIKeyIGVXVMUWPSWNCH-UHFFFAOYSA-N
MW474.69 g/mol
LogP6.13
Rot. Bonds10

About 3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one

3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one (PubChem CID 73213851) has the molecular formula C31H42N2O2 and a molecular weight of 474.69 g/mol. Its IUPAC name is 3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one.

Molecular Properties

Compound Name3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one
PubChem CID73213851
Molecular FormulaC31H42N2O2
Molecular Weight474.69 g/mol
Exact Mass474.32
IUPAC Name3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one
SMILESCC(C)(c1ccc(C(=O)CCN2CCCCC2)cc1)c1cccc(C(=O)CCN2CCCCC2)c1
InChIInChI=1S/C31H42N2O2/c1-31(2,27-14-12-25(13-15-27)29(34)16-22-32-18-5-3-6-19-32)28-11-9-10-26(24-28)30(35)17-23-33-20-7-4-8-21-33/h9-15,24H,3-8,16-23H2,1-2H3
InChIKeyIGVXVMUWPSWNCH-UHFFFAOYSA-N
XLogP6.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.69
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one?
The IUPAC name of 3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one (CID 73213851) is 3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one.
What is the SMILES notation for 3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one?
The canonical SMILES for 3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one is CC(C)(c1ccc(C(=O)CCN2CCCCC2)cc1)c1cccc(C(=O)CCN2CCCCC2)c1.
What is the InChIKey of 3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one?
The InChIKey is IGVXVMUWPSWNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N2O2/c1-31(2,27-14-12-25(13-15-27)29(34)16-22-32-18-5-3-6-19-32)28-11-9-10-26(24-28)30(35)17-23-33-20-7-4-8-21-33/h9-15,24H,3-8,16-23H2,1-2H3.
What are the key properties of 3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one?
3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one has a molecular weight of 474.69 g/mol, XLogP of 6.13, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-1-[4-[2-[3-(3-piperidin-1-ylpropanoyl)phenyl]propan-2-yl]phenyl]propan-1-one is sourced from PubChem (CID 73213851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).