(1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide

C21H31N3O2 — CID 97375787

About (1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide

(1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide (PubChem CID 97375787) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: (1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
• PubChem CID: 97375787
• Molecular Formula: C21H31N3O2
• Molecular Weight: 357.50 g/mol
• Exact Mass: 357.24
• IUPAC Name: (1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
• SMILES: CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)N(C)C)CC2)c2ccccc21
• InChI: InChI=1S/C21H31N3O2/c1-15(2)22-19(25)13-16-14-21(18-8-6-5-7-17(16)18)9-11-24(12-10-21)20(26)23(3)4/h5-8,15-16H,9-14H2,1-4H3,(H,22,25)/t16-/m0/s1
• InChIKey: XKJYEZVOIPBTJE-INIZCTEOSA-N
• XLogP: 3.10
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.50
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?

The IUPAC name of (1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide (CID 97375787) is (1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide.

What is the SMILES notation for (1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?

The canonical SMILES for (1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide is CC(C)NC(=O)C[C@H]1CC2(CCN(C(=O)N(C)C)CC2)c2ccccc21.

What is the InChIKey of (1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?

The InChIKey is XKJYEZVOIPBTJE-INIZCTEOSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15(2)22-19(25)13-16-14-21(18-8-6-5-7-17(16)18)9-11-24(12-10-21)20(26)23(3)4/h5-8,15-16H,9-14H2,1-4H3,(H,22,25)/t16-/m0/s1.

What are the key properties of (1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide?

(1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N,N-dimethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 97375787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).