2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride

C28H35ClN4O3 — CID 22867440

About 2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride

2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride (PubChem CID 22867440) has the molecular formula C28H35ClN4O3 and a molecular weight of 511.07 g/mol. Its IUPAC name is 2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
• PubChem CID: 22867440
• Molecular Formula: C28H35ClN4O3
• Molecular Weight: 511.07 g/mol
• Exact Mass: 510.24
• IUPAC Name: 2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
• SMILES: CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12.Cl
• InChI: InChI=1S/C28H34N4O3.ClH/c1-27(2,29)26(35)31-23(15-18-17-30-22-10-6-4-7-19(18)22)25(34)32-13-11-28(12-14-32)16-24(33)20-8-3-5-9-21(20)28;/h3-10,17,23-24,30,33H,11-16,29H2,1-2H3,(H,31,35);1H/t23-,24-;/m1./s1
• InChIKey: OOIQJGBIXBDLNC-BNUOYOMZSA-N
• XLogP: 3.35
• TPSA: 111.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.07
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride?

The IUPAC name of 2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride (CID 22867440) is 2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride.

What is the SMILES notation for 2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride?

The canonical SMILES for 2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride is CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)C[C@@H](O)c1ccccc12.Cl.

What is the InChIKey of 2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride?

The InChIKey is OOIQJGBIXBDLNC-BNUOYOMZSA-N. The full InChI is InChI=1S/C28H34N4O3.ClH/c1-27(2,29)26(35)31-23(15-18-17-30-22-10-6-4-7-19(18)22)25(34)32-13-11-28(12-14-32)16-24(33)20-8-3-5-9-21(20)28;/h3-10,17,23-24,30,33H,11-16,29H2,1-2H3,(H,31,35);1H/t23-,24-;/m1./s1.

What are the key properties of 2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride?

2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 511.07 g/mol, XLogP of 3.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(2R)-1-[(1R)-1-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 22867440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).