(2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen

C28H44FN3O2 — CID 158382899

About (2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen

(2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen (PubChem CID 158382899) has the molecular formula C28H44FN3O2 and a molecular weight of 473.68 g/mol. Its IUPAC name is (2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: (2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen
• PubChem CID: 158382899
• Molecular Formula: C28H44FN3O2
• Molecular Weight: 473.68 g/mol
• Exact Mass: 473.34
• IUPAC Name: (2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen
• SMILES: CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.[H][H]
• InChI: InChI=1S/C28H42FN3O2.H2/c1-20(33)32-15-6-5-7-25(32)26(34)30-24-10-11-28(23-19-21(29)8-9-22(23)24)13-17-31(18-14-28)16-12-27(2,3)4;/h8-9,19,24-25H,5-7,10-18H2,1-4H3,(H,30,34);1H/t24-,25+;/m0./s1
• InChIKey: GWAAOSKNFFKOQL-CLSOAGJSSA-N
• XLogP: 5.19
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.68
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen?

The IUPAC name of (2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen (CID 158382899) is (2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for (2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen?

The canonical SMILES for (2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen is CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2cc(F)ccc21.[H][H].

What is the InChIKey of (2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen?

The InChIKey is GWAAOSKNFFKOQL-CLSOAGJSSA-N. The full InChI is InChI=1S/C28H42FN3O2.H2/c1-20(33)32-15-6-5-7-25(32)26(34)30-24-10-11-28(23-19-21(29)8-9-22(23)24)13-17-31(18-14-28)16-12-27(2,3)4;/h8-9,19,24-25H,5-7,10-18H2,1-4H3,(H,30,34);1H/t24-,25+;/m0./s1.

What are the key properties of (2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen?

(2R)-1-acetyl-N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen has a molecular weight of 473.68 g/mol, XLogP of 5.19, 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-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]piperidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 158382899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).