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

C28H34N4O3 — CID 70344264

IUPAC2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)Cc1ccccc1[C@@H]2O
InChIInChI=1S/C28H34N4O3/c1-27(2,29)26(35)31-23(15-19-17-30-22-10-6-5-8-20(19)22)25(34)32-13-11-28(12-14-32)16-18-7-3-4-9-21(18)24(28)33/h3-10,17,23-24,30,33H,11-16,29H2,1-2H3,(H,31,35)/t23?,24-/m0/s1
InChIKeyMTTHLYGQGYOPFK-CGAIIQECSA-N
MW474.61 g/mol
LogP2.83
Rot. Bonds5

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

2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 70344264) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
PubChem CID70344264
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC Name2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)Cc1ccccc1[C@@H]2O
InChIInChI=1S/C28H34N4O3/c1-27(2,29)26(35)31-23(15-19-17-30-22-10-6-5-8-20(19)22)25(34)32-13-11-28(12-14-32)16-18-7-3-4-9-21(18)24(28)33/h3-10,17,23-24,30,33H,11-16,29H2,1-2H3,(H,31,35)/t23?,24-/m0/s1
InChIKeyMTTHLYGQGYOPFK-CGAIIQECSA-N
XLogP2.83
TPSA111.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 52.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide;hydrochloride
CID 18391293
2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride
CID 21221997
ethyl 1'-[2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylate
CID 70343590
2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide;dihydrochloride
CID 19030525
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-oxo-1-spiro[1,2-dihydroindole-3,4'-piperidine]-1'-ylpropan-2-yl]-2-methylpropanamide;dihydrochloride
CID 22875158
2-amino-N-[1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 21222126
ethyl (1S)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxylate;hydrochloride
CID 45260809
ethyl 2-[1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetate
CID 54098178
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
2-amino-N-[1-[(1R)-1-(benzenesulfonamido)spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 70343343
N-[1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]cyclohexanecarboxamide
CID 22867389

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (CID 70344264) is 2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CC1)Cc1ccccc1[C@@H]2O.
What is the InChIKey of 2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The InChIKey is MTTHLYGQGYOPFK-CGAIIQECSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-27(2,29)26(35)31-23(15-19-17-30-22-10-6-5-8-20(19)22)25(34)32-13-11-28(12-14-32)16-18-7-3-4-9-21(18)24(28)33/h3-10,17,23-24,30,33H,11-16,29H2,1-2H3,(H,31,35)/t23?,24-/m0/s1.
What are the key properties of 2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 474.61 g/mol, XLogP of 2.83, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[(1R)-1-hydroxyspiro[1,3-dihydroindene-2,4'-piperidine]-1'-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 70344264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).