2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride

C29H35ClN4O4 — CID 19030490

About 2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride

2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride (PubChem CID 19030490) has the molecular formula C29H35ClN4O4 and a molecular weight of 539.08 g/mol. Its IUPAC name is 2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
• PubChem CID: 19030490
• Molecular Formula: C29H35ClN4O4
• Molecular Weight: 539.08 g/mol
• Exact Mass: 538.23
• IUPAC Name: 2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
• SMILES: Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)N)CC1)O2.Cl
• InChI: InChI=1S/C29H34N4O4.ClH/c1-18-8-9-25-21(14-18)24(34)16-29(37-25)10-12-33(13-11-29)26(35)23(32-27(36)28(2,3)30)15-19-17-31-22-7-5-4-6-20(19)22;/h4-9,14,17,23,31H,10-13,15-16,30H2,1-3H3,(H,32,36);1H
• InChIKey: IUTASWOFBBWPIN-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 117.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.08
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride?

The IUPAC name of 2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride (CID 19030490) is 2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride.

What is the SMILES notation for 2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride?

The canonical SMILES for 2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride is Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)C(Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)N)CC1)O2.Cl.

What is the InChIKey of 2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride?

The InChIKey is IUTASWOFBBWPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O4.ClH/c1-18-8-9-25-21(14-18)24(34)16-29(37-25)10-12-33(13-11-29)26(35)23(32-27(36)28(2,3)30)15-19-17-31-22-7-5-4-6-20(19)22;/h4-9,14,17,23,31H,10-13,15-16,30H2,1-3H3,(H,32,36);1H.

What are the key properties of 2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride?

2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 539.08 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[3-(1H-indol-3-yl)-1-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 19030490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).