3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one

C27H33N3O3 — CID 157066593

IUPAC3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
SMILESCC(CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)[C@H](N)CC2=CCc3ccccc32)CC1
InChIInChI=1S/C27H33N3O3/c1-17(14-25(31)24-16-26(33-29-24)20-7-8-20)18-10-12-30(13-11-18)27(32)23(28)15-21-9-6-19-4-2-3-5-22(19)21/h2-5,9,16-18,20,23H,6-8,10-15,28H2,1H3/t17?,23-/m1/s1
InChIKeyABYFSSCYYMDFBU-IRCUZVAFSA-N
MW447.58 g/mol
LogP4.36
Rot. Bonds8

About 3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one

3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one (PubChem CID 157066593) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one.

Molecular Properties

Compound Name3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
PubChem CID157066593
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
SMILESCC(CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)[C@H](N)CC2=CCc3ccccc32)CC1
InChIInChI=1S/C27H33N3O3/c1-17(14-25(31)24-16-26(33-29-24)20-7-8-20)18-10-12-30(13-11-18)27(32)23(28)15-21-9-6-19-4-2-3-5-22(19)21/h2-5,9,16-18,20,23H,6-8,10-15,28H2,1H3/t17?,23-/m1/s1
InChIKeyABYFSSCYYMDFBU-IRCUZVAFSA-N
XLogP4.36
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one with MolForge

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Related Compounds

3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
CID 158638459
(2S)-2-amino-1-[4-[3-(5-cyclopropyl-1,2-oxazol-3-yl)-3-oxopropyl]piperidin-1-yl]-3-(3H-inden-1-yl)propan-1-one;3-[1-[(2S)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one;N-[4-(cyclohexylmethylcarbamoyl)-3-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;N-[4-(cyclopentylcarbamoyl)-3-methylphenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;5-cyclopropyl-N-[4-[(3-methylcyclohexyl)methylsulfonyl]phenyl]-1,2-oxazole-3-carboxamide
CID 160974300
(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
CID 158202581
N-[1-[1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188112
N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188195
methyl 2-[1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetate
CID 130188161
3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one
CID 158448684
N-[(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 124862687
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
N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 158988803
N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188190

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one?
The IUPAC name of 3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one (CID 157066593) is 3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one.
What is the SMILES notation for 3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one?
The canonical SMILES for 3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one is CC(CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)[C@H](N)CC2=CCc3ccccc32)CC1.
What is the InChIKey of 3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one?
The InChIKey is ABYFSSCYYMDFBU-IRCUZVAFSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-17(14-25(31)24-16-26(33-29-24)20-7-8-20)18-10-12-30(13-11-18)27(32)23(28)15-21-9-6-19-4-2-3-5-22(19)21/h2-5,9,16-18,20,23H,6-8,10-15,28H2,1H3/t17?,23-/m1/s1.
What are the key properties of 3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one?
3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one has a molecular weight of 447.58 g/mol, XLogP of 4.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one is sourced from PubChem (CID 157066593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).