2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride

C26H33ClN4O2 — CID 21221997

IUPAC2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C26H32N4O2.ClH/c1-26(2,27)25(32)29-23(16-20-17-28-22-11-7-6-10-21(20)22)24(31)30-14-12-19(13-15-30)18-8-4-3-5-9-18;/h3-11,17,19,23,28H,12-16,27H2,1-2H3,(H,29,32);1H
InChIKeyYNJWHZSMGFARBB-UHFFFAOYSA-N
MW469.03 g/mol
LogP3.76
Rot. Bonds6

About 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride

2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride (PubChem CID 21221997) has the molecular formula C26H33ClN4O2 and a molecular weight of 469.03 g/mol. Its IUPAC name is 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride
PubChem CID21221997
Molecular FormulaC26H33ClN4O2
Molecular Weight469.03 g/mol
Exact Mass468.23
IUPAC Name2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride
SMILESCC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2ccccc2)CC1.Cl
InChIInChI=1S/C26H32N4O2.ClH/c1-26(2,27)25(32)29-23(16-20-17-28-22-11-7-6-10-21(20)22)24(31)30-14-12-19(13-15-30)18-8-4-3-5-9-18;/h3-11,17,19,23,28H,12-16,27H2,1-2H3,(H,29,32);1H
InChIKeyYNJWHZSMGFARBB-UHFFFAOYSA-N
XLogP3.76
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.03
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-[1-(4-benzylpiperidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 21222126
2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide
CID 21222170
2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;hydrochloride
CID 21222007
2-amino-N-[(2R)-3-(1H-indol-3-yl)-1-(2-methyl-1-oxo-4-phenyl-2,9-diazaspiro[4.5]decan-9-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 71060287
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
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-[3-(1H-indol-3-yl)-1-oxo-1-[4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]propan-2-yl]-2-methylpropanamide;dihydrochloride
CID 21222164
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-[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-[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
N-[(2S)-3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 110286492

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride (CID 21221997) is 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride is CC(C)(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCC(c2ccccc2)CC1.Cl.
What is the InChIKey of 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride?
The InChIKey is YNJWHZSMGFARBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2.ClH/c1-26(2,27)25(32)29-23(16-20-17-28-22-11-7-6-10-21(20)22)24(31)30-14-12-19(13-15-30)18-8-4-3-5-9-18;/h3-11,17,19,23,28H,12-16,27H2,1-2H3,(H,29,32);1H.
What are the key properties of 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride?
2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride has a molecular weight of 469.03 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 21221997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).