(2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide

C27H41N3O2 — CID 58033881

About (2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide

(2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide (PubChem CID 58033881) has the molecular formula C27H41N3O2 and a molecular weight of 439.64 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide
• PubChem CID: 58033881
• Molecular Formula: C27H41N3O2
• Molecular Weight: 439.64 g/mol
• Exact Mass: 439.32
• IUPAC Name: (2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide
• SMILES: CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21
• InChI: InChI=1S/C27H41N3O2/c1-20(31)30-16-7-10-24(30)25(32)28-23-11-12-27(22-9-6-5-8-21(22)23)14-18-29(19-15-27)17-13-26(2,3)4/h5-6,8-9,23-24H,7,10-19H2,1-4H3,(H,28,32)/t23-,24-/m1/s1
• InChIKey: WABLLHTXYQADRM-DNQXCXABSA-N
• XLogP: 4.42
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.64
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide?

The IUPAC name of (2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide (CID 58033881) is (2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.

What is the InChIKey of (2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide?

The InChIKey is WABLLHTXYQADRM-DNQXCXABSA-N. The full InChI is InChI=1S/C27H41N3O2/c1-20(31)30-16-7-10-24(30)25(32)28-23-11-12-27(22-9-6-5-8-21(22)23)14-18-29(19-15-27)17-13-26(2,3)4/h5-6,8-9,23-24H,7,10-19H2,1-4H3,(H,28,32)/t23-,24-/m1/s1.

What are the key properties of (2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide?

(2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide has a molecular weight of 439.64 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 58033881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).