2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide

C21H36N4O2 — CID 134804316

IUPAC2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)NCCCN1CCCCC1
InChIInChI=1S/C21H36N4O2/c26-20(22-8-5-11-23-9-2-1-3-10-23)16-24-13-17-12-18(15-24)19-6-4-7-21(27)25(19)14-17/h17-19H,1-16H2,(H,22,26)/t17?,18?,19-/m1/s1
InChIKeyBZTPKLPYIFAFDM-CTWPCTMYSA-N
MW376.55 g/mol
LogP1.31
Rot. Bonds6

About 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide

2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide (PubChem CID 134804316) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide
PubChem CID134804316
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide
SMILESO=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)NCCCN1CCCCC1
InChIInChI=1S/C21H36N4O2/c26-20(22-8-5-11-23-9-2-1-3-10-23)16-24-13-17-12-18(15-24)19-6-4-7-21(27)25(19)14-17/h17-19H,1-16H2,(H,22,26)/t17?,18?,19-/m1/s1
InChIKeyBZTPKLPYIFAFDM-CTWPCTMYSA-N
XLogP1.31
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide (CID 134804316) is 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide is O=C(CN1CC2CC(C1)[C@H]1CCCC(=O)N1C2)NCCCN1CCCCC1.
What is the InChIKey of 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
The InChIKey is BZTPKLPYIFAFDM-CTWPCTMYSA-N. The full InChI is InChI=1S/C21H36N4O2/c26-20(22-8-5-11-23-9-2-1-3-10-23)16-24-13-17-12-18(15-24)19-6-4-7-21(27)25(19)14-17/h17-19H,1-16H2,(H,22,26)/t17?,18?,19-/m1/s1.
What are the key properties of 2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide?
2-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-N-(3-piperidin-1-ylpropyl)acetamide has a molecular weight of 376.55 g/mol, XLogP of 1.31, 6 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-(3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 134804316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).