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

C27H43N3O2 — CID 157199954

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

(2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 157199954) has the molecular formula C27H43N3O2 and a molecular weight of 441.66 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 hydrogen.

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;molecular hydrogen
• PubChem CID: 157199954
• Molecular Formula: C27H43N3O2
• Molecular Weight: 441.66 g/mol
• Exact Mass: 441.34
• 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;molecular hydrogen
• SMILES: CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H]
• InChI: InChI=1S/C27H41N3O2.H2/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);1H/t23-,24-;/m1./s1
• InChIKey: AQRKPRVVUNGHBV-BNUOYOMZSA-N
• XLogP: 4.66
• 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	441.66
LogP ≤ 5	4.66
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;molecular hydrogen?

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;molecular hydrogen (CID 157199954) 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 hydrogen.

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;molecular hydrogen?

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;molecular hydrogen is CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC2(CCN(CCC(C)(C)C)CC2)c2ccccc21.[H][H].

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;molecular hydrogen?

The InChIKey is AQRKPRVVUNGHBV-BNUOYOMZSA-N. The full InChI is InChI=1S/C27H41N3O2.H2/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);1H/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;molecular hydrogen?

(2R)-1-acetyl-N-[(1R)-1'-(3,3-dimethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 441.66 g/mol, XLogP of 4.66, 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;molecular hydrogen is sourced from PubChem (CID 157199954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).