3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one

C19H28N2O3 — CID 158448684

IUPAC3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one
SMILESCC(CC(=O)c1coc(C2CC2)c1)C1CCN(C(=O)[C@@H](C)N)CC1
InChIInChI=1S/C19H28N2O3/c1-12(14-5-7-21(8-6-14)19(23)13(2)20)9-17(22)16-10-18(24-11-16)15-3-4-15/h10-15H,3-9,20H2,1-2H3/t12?,13-/m1/s1
InChIKeyHDRZFFOOHXDVCR-ZGTCLIOFSA-N
MW332.44 g/mol
LogP2.95
Rot. Bonds6

About 3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one

3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one (PubChem CID 158448684) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one.

Molecular Properties

Compound Name3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one
PubChem CID158448684
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one
SMILESCC(CC(=O)c1coc(C2CC2)c1)C1CCN(C(=O)[C@@H](C)N)CC1
InChIInChI=1S/C19H28N2O3/c1-12(14-5-7-21(8-6-14)19(23)13(2)20)9-17(22)16-10-18(24-11-16)15-3-4-15/h10-15H,3-9,20H2,1-2H3/t12?,13-/m1/s1
InChIKeyHDRZFFOOHXDVCR-ZGTCLIOFSA-N
XLogP2.95
TPSA76.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one with MolForge

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Related Compounds

3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-pyrazin-2-ylbutan-1-one
CID 159889449
5-[3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]butanoyl]-1,3-dihydroinden-2-one
CID 152901113
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-(1-methylimidazol-2-yl)butan-1-one
CID 158996050
3-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-amino-3-pyridinyl)butan-1-one
CID 159740350
3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
CID 158638459
4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-(4-fluorophenyl)pentan-2-one
CID 147207500
4-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-1-imidazol-1-ylpentan-2-one
CID 147903120
(2S)-2-amino-1-(4-chloropiperidin-1-yl)propan-1-one
CID 66564392
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
(3R)-3-[1-(2-cyclohexylacetyl)piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
CID 158202581
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one?
The IUPAC name of 3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one (CID 158448684) is 3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one.
What is the SMILES notation for 3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one?
The canonical SMILES for 3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one is CC(CC(=O)c1coc(C2CC2)c1)C1CCN(C(=O)[C@@H](C)N)CC1.
What is the InChIKey of 3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one?
The InChIKey is HDRZFFOOHXDVCR-ZGTCLIOFSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-12(14-5-7-21(8-6-14)19(23)13(2)20)9-17(22)16-10-18(24-11-16)15-3-4-15/h10-15H,3-9,20H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of 3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one?
3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one has a molecular weight of 332.44 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]-1-(5-cyclopropylfuran-3-yl)butan-1-one is sourced from PubChem (CID 158448684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).