11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione

C25H24N2O3 — CID 118000417

IUPAC11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione
SMILESO=C1CCc2c1ccc1c2c2c3occc(=O)c3ccc2n1CCN1CCCCC1
InChIInChI=1S/C25H24N2O3/c28-21-9-6-17-16(21)4-7-19-23(17)24-20(8-5-18-22(29)10-15-30-25(18)24)27(19)14-13-26-11-2-1-3-12-26/h4-5,7-8,10,15H,1-3,6,9,11-14H2
InChIKeyQUPTXPQSNOSIRV-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.52
Rot. Bonds3

About 11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione

11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione (PubChem CID 118000417) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione.

Molecular Properties

Compound Name11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione
PubChem CID118000417
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione
SMILESO=C1CCc2c1ccc1c2c2c3occc(=O)c3ccc2n1CCN1CCCCC1
InChIInChI=1S/C25H24N2O3/c28-21-9-6-17-16(21)4-7-19-23(17)24-20(8-5-18-22(29)10-15-30-25(18)24)27(19)14-13-26-11-2-1-3-12-26/h4-5,7-8,10,15H,1-3,6,9,11-14H2
InChIKeyQUPTXPQSNOSIRV-UHFFFAOYSA-N
XLogP4.52
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione?
The IUPAC name of 11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione (CID 118000417) is 11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione.
What is the SMILES notation for 11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione?
The canonical SMILES for 11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione is O=C1CCc2c1ccc1c2c2c3occc(=O)c3ccc2n1CCN1CCCCC1.
What is the InChIKey of 11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione?
The InChIKey is QUPTXPQSNOSIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-21-9-6-17-16(21)4-7-19-23(17)24-20(8-5-18-22(29)10-15-30-25(18)24)27(19)14-13-26-11-2-1-3-12-26/h4-5,7-8,10,15H,1-3,6,9,11-14H2.
What are the key properties of 11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione?
11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione has a molecular weight of 400.48 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2-piperidin-1-ylethyl)-19-oxa-11-azapentacyclo[10.8.0.02,10.03,7.015,20]icosa-1(12),2(10),3(7),8,13,15(20),17-heptaene-6,16-dione is sourced from PubChem (CID 118000417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).