3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide

C24H31N3O2 — CID 133118063

About 3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide

3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide (PubChem CID 133118063) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide
• PubChem CID: 133118063
• Molecular Formula: C24H31N3O2
• Molecular Weight: 393.53 g/mol
• Exact Mass: 393.24
• IUPAC Name: 3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide
• SMILES: CC(C)CC(=O)N[C@H]1c2ccccc2C2(CCNCC2)[C@@H]1OCc1cccnc1
• InChI: InChI=1S/C24H31N3O2/c1-17(2)14-21(28)27-22-19-7-3-4-8-20(19)24(9-12-25-13-10-24)23(22)29-16-18-6-5-11-26-15-18/h3-8,11,15,17,22-23,25H,9-10,12-14,16H2,1-2H3,(H,27,28)/t22-,23+/m0/s1
• InChIKey: SVUIKSDUBSSZMN-XZOQPEGZSA-N
• XLogP: 3.51
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.53
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide?

The IUPAC name of 3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide (CID 133118063) is 3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide.

What is the SMILES notation for 3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide?

The canonical SMILES for 3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide is CC(C)CC(=O)N[C@H]1c2ccccc2C2(CCNCC2)[C@@H]1OCc1cccnc1.

What is the InChIKey of 3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide?

The InChIKey is SVUIKSDUBSSZMN-XZOQPEGZSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17(2)14-21(28)27-22-19-7-3-4-8-20(19)24(9-12-25-13-10-24)23(22)29-16-18-6-5-11-26-15-18/h3-8,11,15,17,22-23,25H,9-10,12-14,16H2,1-2H3,(H,27,28)/t22-,23+/m0/s1.

What are the key properties of 3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide?

3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide has a molecular weight of 393.53 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]butanamide is sourced from PubChem (CID 133118063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).