5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one

C21H28N2O3 — CID 152901113

IUPAC5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one
SMILESCC(CC(=O)c1ccc2c(c1)CC(=O)C2)C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C21H28N2O3/c1-13(15-5-7-23(8-6-15)21(26)14(2)22)9-20(25)17-4-3-16-11-19(24)12-18(16)10-17/h3-4,10,13-15H,5-9,11-12,22H2,1-2H3/t13?,14-/m0/s1
InChIKeyUFIWSNHUNFFROX-KZUDCZAMSA-N
MW356.47 g/mol
LogP2.15
Rot. Bonds5

About 5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one

5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one (PubChem CID 152901113) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one.

Molecular Properties

Compound Name5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one
PubChem CID152901113
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one
SMILESCC(CC(=O)c1ccc2c(c1)CC(=O)C2)C1CCN(C(=O)[C@H](C)N)CC1
InChIInChI=1S/C21H28N2O3/c1-13(15-5-7-23(8-6-15)21(26)14(2)22)9-20(25)17-4-3-16-11-19(24)12-18(16)10-17/h3-4,10,13-15H,5-9,11-12,22H2,1-2H3/t13?,14-/m0/s1
InChIKeyUFIWSNHUNFFROX-KZUDCZAMSA-N
XLogP2.15
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one with MolForge

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Related Compounds

3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one
CID 158448684
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one
CID 159740350
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(1-methylpyrazol-3-yl)butan-1-one
CID 160603771
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one
CID 159889449
4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one
CID 147207500
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(1-methylimidazol-2-yl)butan-1-one
CID 158996050
5-(4-aminopiperidine-1-carbonyl)-1,3-dihydroinden-2-one
CID 158204388
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 146193051
6-amino-N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]naphthalene-2-carboxamide
CID 146193092
N-[1-[1-(2-aminopropanoyl)piperidin-4-yl]ethyl]-2-oxochromene-6-carboxamide
CID 146193182
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one
CID 147903120

Frequently Asked Questions

What is the IUPAC name of 5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one?
The IUPAC name of 5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one (CID 152901113) is 5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one.
What is the SMILES notation for 5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one?
The canonical SMILES for 5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one is CC(CC(=O)c1ccc2c(c1)CC(=O)C2)C1CCN(C(=O)[C@H](C)N)CC1.
What is the InChIKey of 5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one?
The InChIKey is UFIWSNHUNFFROX-KZUDCZAMSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-13(15-5-7-23(8-6-15)21(26)14(2)22)9-20(25)17-4-3-16-11-19(24)12-18(16)10-17/h3-4,10,13-15H,5-9,11-12,22H2,1-2H3/t13?,14-/m0/s1.
What are the key properties of 5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one?
5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one is sourced from PubChem (CID 152901113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).