(2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone

C24H22N2O3 — CID 24828561

IUPAC(2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc2c(cn1)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1
InChIInChI=1S/C24H22N2O3/c27-23(26-14-8-3-9-15-26)20-16-21-22(17-25-20)29-24(28-21,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2
InChIKeyAGWFBLXHVMWDGS-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.38
Rot. Bonds3

About (2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone

(2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone (PubChem CID 24828561) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is (2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone
PubChem CID24828561
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name(2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone
SMILESO=C(c1cc2c(cn1)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1
InChIInChI=1S/C24H22N2O3/c27-23(26-14-8-3-9-15-26)20-16-21-22(17-25-20)29-24(28-21,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2
InChIKeyAGWFBLXHVMWDGS-UHFFFAOYSA-N
XLogP4.38
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 11655099
CID 11655099
CID 59634027
CID 59634027
CID 122539626
CID 122539626
CID 122539668
CID 122539668
CID 122539679
CID 122539679
CID 122539714
CID 122539714
CID 122539746
CID 122539746
CID 122539656
CID 122539656
CID 122539658
CID 122539658
CID 122539680
CID 122539680
CID 122539725
CID 122539725
CID 122539745
CID 122539745

Frequently Asked Questions

What is the IUPAC name of (2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone?
The IUPAC name of (2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone (CID 24828561) is (2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone is O=C(c1cc2c(cn1)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1.
What is the InChIKey of (2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone?
The InChIKey is AGWFBLXHVMWDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c27-23(26-14-8-3-9-15-26)20-16-21-22(17-25-20)29-24(28-21,18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2.
What are the key properties of (2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone?
(2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone has a molecular weight of 386.45 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-diphenyl-[1,3]dioxolo[4,5-c]pyridin-6-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 24828561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).