11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide

C24H22N4O3 — CID 162763945

IUPAC11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
SMILESO=C1CCN(CCNC(=O)c2cccn3c(=O)c4ccc5ccccc5c4nc23)CC1
InChIInChI=1S/C24H22N4O3/c29-17-9-13-27(14-10-17)15-11-25-23(30)20-6-3-12-28-22(20)26-21-18-5-2-1-4-16(18)7-8-19(21)24(28)31/h1-8,12H,9-11,13-15H2,(H,25,30)
InChIKeyFVHDCLOSPIXBHP-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.40
Rot. Bonds4

About 11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide

11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide (PubChem CID 162763945) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide.

Molecular Properties

Compound Name11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
PubChem CID162763945
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide
SMILESO=C1CCN(CCNC(=O)c2cccn3c(=O)c4ccc5ccccc5c4nc23)CC1
InChIInChI=1S/C24H22N4O3/c29-17-9-13-27(14-10-17)15-11-25-23(30)20-6-3-12-28-22(20)26-21-18-5-2-1-4-16(18)7-8-19(21)24(28)31/h1-8,12H,9-11,13-15H2,(H,25,30)
InChIKeyFVHDCLOSPIXBHP-UHFFFAOYSA-N
XLogP2.40
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
The IUPAC name of 11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide (CID 162763945) is 11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide.
What is the SMILES notation for 11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
The canonical SMILES for 11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide is O=C1CCN(CCNC(=O)c2cccn3c(=O)c4ccc5ccccc5c4nc23)CC1.
What is the InChIKey of 11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
The InChIKey is FVHDCLOSPIXBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c29-17-9-13-27(14-10-17)15-11-25-23(30)20-6-3-12-28-22(20)26-21-18-5-2-1-4-16(18)7-8-19(21)24(28)31/h1-8,12H,9-11,13-15H2,(H,25,30).
What are the key properties of 11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide?
11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-oxo-N-[2-(4-oxopiperidin-1-yl)ethyl]-12,18-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,13,15,17-octaene-16-carboxamide is sourced from PubChem (CID 162763945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).