11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one

C26H35N5O3 — CID 46951263

IUPAC11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
SMILESO=C(C1CCCC1)N1CCc2nc3cc(C4CCCN(C(=O)C5CCCC5)C4)[nH]n3c(=O)c2C1
InChIInChI=1S/C26H35N5O3/c32-24(17-6-1-2-7-17)29-12-5-10-19(15-29)22-14-23-27-21-11-13-30(25(33)18-8-3-4-9-18)16-20(21)26(34)31(23)28-22/h14,17-19,28H,1-13,15-16H2
InChIKeyRYDWMAKRQYAWOC-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.99
Rot. Bonds3

About 11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one

11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one (PubChem CID 46951263) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one.

Molecular Properties

Compound Name11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
PubChem CID46951263
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
SMILESO=C(C1CCCC1)N1CCc2nc3cc(C4CCCN(C(=O)C5CCCC5)C4)[nH]n3c(=O)c2C1
InChIInChI=1S/C26H35N5O3/c32-24(17-6-1-2-7-17)29-12-5-10-19(15-29)22-14-23-27-21-11-13-30(25(33)18-8-3-4-9-18)16-20(21)26(34)31(23)28-22/h14,17-19,28H,1-13,15-16H2
InChIKeyRYDWMAKRQYAWOC-UHFFFAOYSA-N
XLogP2.99
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The IUPAC name of 11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one (CID 46951263) is 11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one.
What is the SMILES notation for 11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The canonical SMILES for 11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one is O=C(C1CCCC1)N1CCc2nc3cc(C4CCCN(C(=O)C5CCCC5)C4)[nH]n3c(=O)c2C1.
What is the InChIKey of 11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The InChIKey is RYDWMAKRQYAWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c32-24(17-6-1-2-7-17)29-12-5-10-19(15-29)22-14-23-27-21-11-13-30(25(33)18-8-3-4-9-18)16-20(21)26(34)31(23)28-22/h14,17-19,28H,1-13,15-16H2.
What are the key properties of 11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one has a molecular weight of 465.60 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(cyclopentanecarbonyl)-5-[1-(cyclopentanecarbonyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one is sourced from PubChem (CID 46951263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).