(15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

C25H26N2O2 — CID 1214699

IUPAC(15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCN1CCCCC1
InChIInChI=1S/C25H26N2O2/c28-24-22-20-16-8-2-3-9-17(16)21(19-11-5-4-10-18(19)20)23(22)25(29)27(24)15-14-26-12-6-1-7-13-26/h2-5,8-11,20-23H,1,6-7,12-15H2/t20?,21?,22-,23-/m1/s1
InChIKeySYTOQWJOLCMWER-BWWMBTDCSA-N
MW386.50 g/mol
LogP3.36
Rot. Bonds3

About (15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

(15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (PubChem CID 1214699) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.

Molecular Properties

Compound Name(15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
PubChem CID1214699
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
SMILESO=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCN1CCCCC1
InChIInChI=1S/C25H26N2O2/c28-24-22-20-16-8-2-3-9-17(16)21(19-11-5-4-10-18(19)20)23(22)25(29)27(24)15-14-26-12-6-1-7-13-26/h2-5,8-11,20-23H,1,6-7,12-15H2/t20?,21?,22-,23-/m1/s1
InChIKeySYTOQWJOLCMWER-BWWMBTDCSA-N
XLogP3.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze (15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The IUPAC name of (15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione (CID 1214699) is (15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione.
What is the SMILES notation for (15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The canonical SMILES for (15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CCN1CCCCC1.
What is the InChIKey of (15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
The InChIKey is SYTOQWJOLCMWER-BWWMBTDCSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-24-22-20-16-8-2-3-9-17(16)21(19-11-5-4-10-18(19)20)23(22)25(29)27(24)15-14-26-12-6-1-7-13-26/h2-5,8-11,20-23H,1,6-7,12-15H2/t20?,21?,22-,23-/m1/s1.
What are the key properties of (15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione?
(15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione has a molecular weight of 386.50 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (15R,19R)-17-(2-piperidin-1-ylethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione is sourced from PubChem (CID 1214699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).