(6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide

C21H30N4O2 — CID 97130965

About (6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide

(6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (PubChem CID 97130965) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is (6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.

Molecular Properties

• Compound Name: (6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
• PubChem CID: 97130965
• Molecular Formula: C21H30N4O2
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.24
• IUPAC Name: (6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide
• SMILES: C=CCN1CC[C@]2(CCC1=O)CN(C(=O)N(C)c1ccccc1)CCN2C
• InChI: InChI=1S/C21H30N4O2/c1-4-13-24-14-12-21(11-10-19(24)26)17-25(16-15-22(21)2)20(27)23(3)18-8-6-5-7-9-18/h4-9H,1,10-17H2,2-3H3/t21-/m1/s1
• InChIKey: IZKKENYTPAZEIS-OAQYLSRUSA-N
• XLogP: 2.43
• TPSA: 47.10 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?

The IUPAC name of (6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide (CID 97130965) is (6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide.

What is the SMILES notation for (6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?

The canonical SMILES for (6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is C=CCN1CC[C@]2(CCC1=O)CN(C(=O)N(C)c1ccccc1)CCN2C.

What is the InChIKey of (6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?

The InChIKey is IZKKENYTPAZEIS-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-4-13-24-14-12-21(11-10-19(24)26)17-25(16-15-22(21)2)20(27)23(3)18-8-6-5-7-9-18/h4-9H,1,10-17H2,2-3H3/t21-/m1/s1.

What are the key properties of (6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide?

(6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-N,1-dimethyl-9-oxo-N-phenyl-10-prop-2-enyl-1,4,10-triazaspiro[5.6]dodecane-4-carboxamide is sourced from PubChem (CID 97130965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).