1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one

C36H36N2O2 — CID 57396817

IUPAC1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one
SMILESO=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C36H36N2O2/c39-33(37-26-23-35(24-27-37,29-14-5-1-6-15-29)30-16-7-2-8-17-30)28-38-25-13-22-36(34(38)40,31-18-9-3-10-19-31)32-20-11-4-12-21-32/h1-12,14-21H,13,22-28H2
InChIKeyBTXUMSWCIFWVKB-UHFFFAOYSA-N
MW528.70 g/mol
LogP6.20
Rot. Bonds6

About 1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one

1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one (PubChem CID 57396817) has the molecular formula C36H36N2O2 and a molecular weight of 528.70 g/mol. Its IUPAC name is 1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one
PubChem CID57396817
Molecular FormulaC36H36N2O2
Molecular Weight528.70 g/mol
Exact Mass528.28
IUPAC Name1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one
SMILESO=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C36H36N2O2/c39-33(37-26-23-35(24-27-37,29-14-5-1-6-15-29)30-16-7-2-8-17-30)28-38-25-13-22-36(34(38)40,31-18-9-3-10-19-31)32-20-11-4-12-21-32/h1-12,14-21H,13,22-28H2
InChIKeyBTXUMSWCIFWVKB-UHFFFAOYSA-N
XLogP6.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one?
The IUPAC name of 1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one (CID 57396817) is 1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one.
What is the SMILES notation for 1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one?
The canonical SMILES for 1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one is O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of 1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one?
The InChIKey is BTXUMSWCIFWVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N2O2/c39-33(37-26-23-35(24-27-37,29-14-5-1-6-15-29)30-16-7-2-8-17-30)28-38-25-13-22-36(34(38)40,31-18-9-3-10-19-31)32-20-11-4-12-21-32/h1-12,14-21H,13,22-28H2.
What are the key properties of 1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one?
1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one has a molecular weight of 528.70 g/mol, XLogP of 6.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-diphenylpiperidin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one is sourced from PubChem (CID 57396817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).