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

C24H35N5O3 — CID 92551802

IUPAC11-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
SMILESCC(C)(C)C(=O)N1CCc2nc3cc([C@H]4CCCN(C(=O)C(C)(C)C)C4)[nH]n3c(=O)c2C1
InChIInChI=1S/C24H35N5O3/c1-23(2,3)21(31)27-10-7-8-15(13-27)18-12-19-25-17-9-11-28(22(32)24(4,5)6)14-16(17)20(30)29(19)26-18/h12,15,26H,7-11,13-14H2,1-6H3/t15-/m0/s1
InChIKeyCDVVNZDBKVVWOW-HNNXBMFYSA-N
MW441.58 g/mol
LogP2.71
Rot. Bonds1

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

11-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one (PubChem CID 92551802) has the molecular formula C24H35N5O3 and a molecular weight of 441.58 g/mol. Its IUPAC name is 11-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)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-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
PubChem CID92551802
Molecular FormulaC24H35N5O3
Molecular Weight441.58 g/mol
Exact Mass441.27
IUPAC Name11-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
SMILESCC(C)(C)C(=O)N1CCc2nc3cc([C@H]4CCCN(C(=O)C(C)(C)C)C4)[nH]n3c(=O)c2C1
InChIInChI=1S/C24H35N5O3/c1-23(2,3)21(31)27-10-7-8-15(13-27)18-12-19-25-17-9-11-28(22(32)24(4,5)6)14-16(17)20(30)29(19)26-18/h12,15,26H,7-11,13-14H2,1-6H3/t15-/m0/s1
InChIKeyCDVVNZDBKVVWOW-HNNXBMFYSA-N
XLogP2.71
TPSA90.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)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-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)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-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one (CID 92551802) is 11-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)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-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)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-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one is CC(C)(C)C(=O)N1CCc2nc3cc([C@H]4CCCN(C(=O)C(C)(C)C)C4)[nH]n3c(=O)c2C1.
What is the InChIKey of 11-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
The InChIKey is CDVVNZDBKVVWOW-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H35N5O3/c1-23(2,3)21(31)27-10-7-8-15(13-27)18-12-19-25-17-9-11-28(22(32)24(4,5)6)14-16(17)20(30)29(19)26-18/h12,15,26H,7-11,13-14H2,1-6H3/t15-/m0/s1.
What are the key properties of 11-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one?
11-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)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 441.58 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(2,2-dimethylpropanoyl)-5-[(3S)-1-(2,2-dimethylpropanoyl)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 92551802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).