N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide

C29H41N3O — CID 58033758

About N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide (PubChem CID 58033758) has the molecular formula C29H41N3O and a molecular weight of 447.67 g/mol. Its IUPAC name is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide
• PubChem CID: 58033758
• Molecular Formula: C29H41N3O
• Molecular Weight: 447.67 g/mol
• Exact Mass: 447.32
• IUPAC Name: N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide
• SMILES: CCN(C(=O)Cc1ccccn1)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21
• InChI: InChI=1S/C29H41N3O/c1-5-32(27(33)22-23-10-8-9-18-30-23)26-13-14-29(25-12-7-6-11-24(25)26)16-20-31(21-17-29)19-15-28(2,3)4/h6-12,18,26H,5,13-17,19-22H2,1-4H3/t26-/m0/s1
• InChIKey: NDCOAISMVLGGHT-SANMLTNESA-N
• XLogP: 5.78
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	447.67
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide?

The IUPAC name of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide (CID 58033758) is N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide.

What is the SMILES notation for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide?

The canonical SMILES for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide is CCN(C(=O)Cc1ccccn1)[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.

What is the InChIKey of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide?

The InChIKey is NDCOAISMVLGGHT-SANMLTNESA-N. The full InChI is InChI=1S/C29H41N3O/c1-5-32(27(33)22-23-10-8-9-18-30-23)26-13-14-29(25-12-7-6-11-24(25)26)16-20-31(21-17-29)19-15-28(2,3)4/h6-12,18,26H,5,13-17,19-22H2,1-4H3/t26-/m0/s1.

What are the key properties of N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide?

N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide has a molecular weight of 447.67 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]-N-ethyl-2-pyridin-2-ylacetamide is sourced from PubChem (CID 58033758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).