(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide

C34H46FN3O3 — CID 146899689

About (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide

(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (PubChem CID 146899689) has the molecular formula C34H46FN3O3 and a molecular weight of 563.76 g/mol. Its IUPAC name is (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

• Compound Name: (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
• PubChem CID: 146899689
• Molecular Formula: C34H46FN3O3
• Molecular Weight: 563.76 g/mol
• Exact Mass: 563.35
• IUPAC Name: (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide
• SMILES: COC1CCC2C(C1)CC1C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN(CCCc2ccccc2)[C@H]1CO
• InChI: InChI=1S/C34H46FN3O3/c1-41-26-13-14-27-25(20-26)21-28-31(22-39)38(17-7-10-24-8-3-2-4-9-24)23-34(32(27)28)15-18-37(19-16-34)33(40)36-30-12-6-5-11-29(30)35/h2-6,8-9,11-12,25-28,31-32,39H,7,10,13-23H2,1H3,(H,36,40)/t25?,26?,27?,28?,31-,32?/m0/s1
• InChIKey: YCOYSFIPKJTSOU-VCLZRRKDSA-N
• XLogP: 5.82
• TPSA: 65.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	563.76
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?

The IUPAC name of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide (CID 146899689) is (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide.

What is the SMILES notation for (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?

The canonical SMILES for (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide is COC1CCC2C(C1)CC1C2C2(CCN(C(=O)Nc3ccccc3F)CC2)CN(CCCc2ccccc2)[C@H]1CO.

What is the InChIKey of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?

The InChIKey is YCOYSFIPKJTSOU-VCLZRRKDSA-N. The full InChI is InChI=1S/C34H46FN3O3/c1-41-26-13-14-27-25(20-26)21-28-31(22-39)38(17-7-10-24-8-3-2-4-9-24)23-34(32(27)28)15-18-37(19-16-34)33(40)36-30-12-6-5-11-29(30)35/h2-6,8-9,11-12,25-28,31-32,39H,7,10,13-23H2,1H3,(H,36,40)/t25?,26?,27?,28?,31-,32?/m0/s1.

What are the key properties of (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide?

(1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide has a molecular weight of 563.76 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-(2-fluorophenyl)-1-(hydroxymethyl)-7-methoxy-2-(3-phenylpropyl)spiro[3,4a,4b,5,6,7,8,8a,9,9a-decahydro-1H-indeno[2,1-c]pyridine-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 146899689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).