N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

C25H31N3O — CID 97375811

About N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide

N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (PubChem CID 97375811) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
• PubChem CID: 97375811
• Molecular Formula: C25H31N3O
• Molecular Weight: 389.54 g/mol
• Exact Mass: 389.25
• IUPAC Name: N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
• SMILES: O=C(C[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)NCC1CC1
• InChI: InChI=1S/C25H31N3O/c29-24(27-17-19-5-6-19)15-21-16-25(23-4-2-1-3-22(21)23)9-13-28(14-10-25)18-20-7-11-26-12-8-20/h1-4,7-8,11-12,19,21H,5-6,9-10,13-18H2,(H,27,29)/t21-/m0/s1
• InChIKey: YSOSIWXTARBOEA-NRFANRHFSA-N
• XLogP: 4.02
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.54
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?

The IUPAC name of N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide (CID 97375811) is N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide.

What is the SMILES notation for N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?

The canonical SMILES for N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is O=C(C[C@H]1CC2(CCN(Cc3ccncc3)CC2)c2ccccc21)NCC1CC1.

What is the InChIKey of N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?

The InChIKey is YSOSIWXTARBOEA-NRFANRHFSA-N. The full InChI is InChI=1S/C25H31N3O/c29-24(27-17-19-5-6-19)15-21-16-25(23-4-2-1-3-22(21)23)9-13-28(14-10-25)18-20-7-11-26-12-8-20/h1-4,7-8,11-12,19,21H,5-6,9-10,13-18H2,(H,27,29)/t21-/m0/s1.

What are the key properties of N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide?

N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide has a molecular weight of 389.54 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-2-[(1R)-1'-(pyridin-4-ylmethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide is sourced from PubChem (CID 97375811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).