[(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone

C27H36FNO5 — CID 130371173

About [(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone

[(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone (PubChem CID 130371173) has the molecular formula C27H36FNO5 and a molecular weight of 473.59 g/mol. Its IUPAC name is [(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

• Compound Name: [(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
• PubChem CID: 130371173
• Molecular Formula: C27H36FNO5
• Molecular Weight: 473.59 g/mol
• Exact Mass: 473.26
• IUPAC Name: [(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
• SMILES: COc1cc(C(=O)N2CCC3(CC2)CC(OC(C)C)C2=C(C[C@@H](F)C=C2)O3)ccc1OC(C)C
• InChI: InChI=1S/C27H36FNO5/c1-17(2)32-22-9-6-19(14-24(22)31-5)26(30)29-12-10-27(11-13-29)16-25(33-18(3)4)21-8-7-20(28)15-23(21)34-27/h6-9,14,17-18,20,25H,10-13,15-16H2,1-5H3/t20-,25?/m0/s1
• InChIKey: CIHFFXBQTQUTBD-JINQPTGOSA-N
• XLogP: 5.22
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.59
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone?

The IUPAC name of [(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone (CID 130371173) is [(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone.

What is the SMILES notation for [(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone?

The canonical SMILES for [(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone is COc1cc(C(=O)N2CCC3(CC2)CC(OC(C)C)C2=C(C[C@@H](F)C=C2)O3)ccc1OC(C)C.

What is the InChIKey of [(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone?

The InChIKey is CIHFFXBQTQUTBD-JINQPTGOSA-N. The full InChI is InChI=1S/C27H36FNO5/c1-17(2)32-22-9-6-19(14-24(22)31-5)26(30)29-12-10-27(11-13-29)16-25(33-18(3)4)21-8-7-20(28)15-23(21)34-27/h6-9,14,17-18,20,25H,10-13,15-16H2,1-5H3/t20-,25?/m0/s1.

What are the key properties of [(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone?

[(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone has a molecular weight of 473.59 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(7R)-7-fluoro-4-propan-2-yloxyspiro[3,4,7,8-tetrahydrochromene-2,4'-piperidine]-1'-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 130371173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).