N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide

C33H36N4O2 — CID 22942293

About N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide

N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide (PubChem CID 22942293) has the molecular formula C33H36N4O2 and a molecular weight of 520.68 g/mol. Its IUPAC name is N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide
• PubChem CID: 22942293
• Molecular Formula: C33H36N4O2
• Molecular Weight: 520.68 g/mol
• Exact Mass: 520.28
• IUPAC Name: N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide
• SMILES: CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1Cc2ccccc2C12CCNCC2
• InChI: InChI=1S/C33H36N4O2/c1-37(22-23-9-3-2-4-10-23)32(39)30(20-25-21-35-29-14-8-6-12-26(25)29)36-31(38)28-19-24-11-5-7-13-27(24)33(28)15-17-34-18-16-33/h2-14,21,28,30,34-35H,15-20,22H2,1H3,(H,36,38)/t28?,30-/m0/s1
• InChIKey: BOMPDKWSQVYBLG-TXDWVUBVSA-N
• XLogP: 4.35
• TPSA: 77.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.68
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide?

The IUPAC name of N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide (CID 22942293) is N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide.

What is the SMILES notation for N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide?

The canonical SMILES for N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide is CN(Cc1ccccc1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1Cc2ccccc2C12CCNCC2.

What is the InChIKey of N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide?

The InChIKey is BOMPDKWSQVYBLG-TXDWVUBVSA-N. The full InChI is InChI=1S/C33H36N4O2/c1-37(22-23-9-3-2-4-10-23)32(39)30(20-25-21-35-29-14-8-6-12-26(25)29)36-31(38)28-19-24-11-5-7-13-27(24)33(28)15-17-34-18-16-33/h2-14,21,28,30,34-35H,15-20,22H2,1H3,(H,36,38)/t28?,30-/m0/s1.

What are the key properties of N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide?

N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide has a molecular weight of 520.68 g/mol, XLogP of 4.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide is sourced from PubChem (CID 22942293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).