2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide

C20H34N4O2 — CID 134804232

IUPAC2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)NCCN1CCCCC1
InChIInChI=1S/C20H34N4O2/c25-19(21-7-10-22-8-2-1-3-9-22)15-23-12-16-11-17(14-23)18-5-4-6-20(26)24(18)13-16/h16-18H,1-15H2,(H,21,25)/t16?,17?,18-/m1/s1
InChIKeyCUYNSHSIQBZIBX-DAWZGUTISA-N
MW362.52 g/mol
LogP0.92
Rot. Bonds5

About 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide

2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 134804232) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID134804232
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide
SMILESO=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)NCCN1CCCCC1
InChIInChI=1S/C20H34N4O2/c25-19(21-7-10-22-8-2-1-3-9-22)15-23-12-16-11-17(14-23)18-5-4-6-20(26)24(18)13-16/h16-18H,1-15H2,(H,21,25)/t16?,17?,18-/m1/s1
InChIKeyCUYNSHSIQBZIBX-DAWZGUTISA-N
XLogP0.92
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide (CID 134804232) is 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide is O=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)NCCN1CCCCC1.
What is the InChIKey of 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is CUYNSHSIQBZIBX-DAWZGUTISA-N. The full InChI is InChI=1S/C20H34N4O2/c25-19(21-7-10-22-8-2-1-3-9-22)15-23-12-16-11-17(14-23)18-5-4-6-20(26)24(18)13-16/h16-18H,1-15H2,(H,21,25)/t16?,17?,18-/m1/s1.
What are the key properties of 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide?
2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 362.52 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 134804232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).