1-amino-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropane-1-carboxamide

C23H28N4O2 — CID 133130446

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

1-amino-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropane-1-carboxamide (PubChem CID 133130446) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-amino-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-amino-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropane-1-carboxamide
• PubChem CID: 133130446
• Molecular Formula: C23H28N4O2
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.22
• IUPAC Name: 1-amino-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropane-1-carboxamide
• SMILES: NC1(C(=O)N[C@H]2c3ccccc3C3(CCNCC3)[C@@H]2OCc2cccnc2)CC1
• InChI: InChI=1S/C23H28N4O2/c24-23(7-8-23)21(28)27-19-17-5-1-2-6-18(17)22(9-12-25-13-10-22)20(19)29-15-16-4-3-11-26-14-16/h1-6,11,14,19-20,25H,7-10,12-13,15,24H2,(H,27,28)/t19-,20+/m0/s1
• InChIKey: FRYGMIVKZVOCNV-VQTJNVASSA-N
• XLogP: 1.95
• TPSA: 89.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	1.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-amino-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropane-1-carboxamide (CID 133130446) is 1-amino-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropane-1-carboxamide.

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

The canonical SMILES for 1-amino-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropane-1-carboxamide is NC1(C(=O)N[C@H]2c3ccccc3C3(CCNCC3)[C@@H]2OCc2cccnc2)CC1.

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

The InChIKey is FRYGMIVKZVOCNV-VQTJNVASSA-N. The full InChI is InChI=1S/C23H28N4O2/c24-23(7-8-23)21(28)27-19-17-5-1-2-6-18(17)22(9-12-25-13-10-22)20(19)29-15-16-4-3-11-26-14-16/h1-6,11,14,19-20,25H,7-10,12-13,15,24H2,(H,27,28)/t19-,20+/m0/s1.

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

1-amino-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropane-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-[(1S,2S)-2-(pyridin-3-ylmethoxy)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 133130446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).