(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide

C21H23N3O2 — CID 95326856

IUPAC(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
SMILESO=C1NCCC[C@@H]1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C21H23N3O2/c25-20-17(10-6-13-22-20)23-21(26)19(16-8-2-1-3-9-16)24-14-12-15-7-4-5-11-18(15)24/h1-5,7-9,11,17,19H,6,10,12-14H2,(H,22,25)(H,23,26)/t17-,19-/m0/s1
InChIKeyXYOGGNISMNQLLC-HKUYNNGSSA-N
MW349.43 g/mol
LogP2.19
Rot. Bonds4

About (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide

(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide (PubChem CID 95326856) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
PubChem CID95326856
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
SMILESO=C1NCCC[C@@H]1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C21H23N3O2/c25-20-17(10-6-13-22-20)23-21(26)19(16-8-2-1-3-9-16)24-14-12-15-7-4-5-11-18(15)24/h1-5,7-9,11,17,19H,6,10,12-14H2,(H,22,25)(H,23,26)/t17-,19-/m0/s1
InChIKeyXYOGGNISMNQLLC-HKUYNNGSSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(2,3-dihydroindol-1-yl)propyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 94030578
2-(2,3-dihydroindol-1-yl)-1,2-diphenylethanone
CID 139234692
(2S)-2-[[(2R)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
CID 124616245
(2S)-2-[[(2S)-2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
CID 124616246
3-[[2-(2,3-dihydroindol-1-yl)-2-phenylacetyl]amino]propanamide
CID 122143195
(2S)-2-amino-N-(2-oxopiperidin-3-yl)-3-phenylpropanamide
CID 78986436
(2R)-2-(4-bromophenoxy)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide
CID 94363922
2-[[(3S)-2-oxoazepan-3-yl]carbamoyl]benzoic acid
CID 6930768
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-methyl-3-oxo-3-[(2-oxopiperidin-3-yl)amino]propanoic acid
CID 114897426
(2S)-2-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)acetamide
CID 51641515
(2S)-2-hydroxy-N-(2-oxopiperidin-3-yl)propanamide
CID 130978731

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide?
The IUPAC name of (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide (CID 95326856) is (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide is O=C1NCCC[C@@H]1NC(=O)[C@H](c1ccccc1)N1CCc2ccccc21.
What is the InChIKey of (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide?
The InChIKey is XYOGGNISMNQLLC-HKUYNNGSSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-20-17(10-6-13-22-20)23-21(26)19(16-8-2-1-3-9-16)24-14-12-15-7-4-5-11-18(15)24/h1-5,7-9,11,17,19H,6,10,12-14H2,(H,22,25)(H,23,26)/t17-,19-/m0/s1.
What are the key properties of (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide?
(2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide has a molecular weight of 349.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dihydroindol-1-yl)-N-[(3S)-2-oxopiperidin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 95326856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).