N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide

C21H24N6O2 — CID 35807048

IUPACN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H24N6O2/c1-15(28)25-19(13-16-14-24-18-6-3-2-5-17(16)18)20(29)26-9-11-27(12-10-26)21-22-7-4-8-23-21/h2-8,14,19,24H,9-13H2,1H3,(H,25,28)/t19-/m0/s1
InChIKeyIVSCNCDLPJGBOA-IBGZPJMESA-N
MW392.46 g/mol
LogP1.35
Rot. Bonds5

About N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide

N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide (PubChem CID 35807048) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
PubChem CID35807048
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H24N6O2/c1-15(28)25-19(13-16-14-24-18-6-3-2-5-17(16)18)20(29)26-9-11-27(12-10-26)21-22-7-4-8-23-21/h2-8,14,19,24H,9-13H2,1H3,(H,25,28)/t19-/m0/s1
InChIKeyIVSCNCDLPJGBOA-IBGZPJMESA-N
XLogP1.35
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 60574430
N-[(2R)-1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 38393886
N-[1-[4-(4-ethylbenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 55586725
N-[3-(1H-indol-3-yl)-1-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-1-oxopropan-2-yl]acetamide
CID 55651453
N-[3-(1H-indol-3-yl)-1-oxo-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-yl]acetamide
CID 55981658
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
N-[(2S)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 33118486
N-[1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 154757311
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 15542691
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide (CID 35807048) is N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide is CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The InChIKey is IVSCNCDLPJGBOA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24N6O2/c1-15(28)25-19(13-16-14-24-18-6-3-2-5-17(16)18)20(29)26-9-11-27(12-10-26)21-22-7-4-8-23-21/h2-8,14,19,24H,9-13H2,1H3,(H,25,28)/t19-/m0/s1.
What are the key properties of N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 35807048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).