3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one

C19H29N3O3 — CID 158638459

IUPAC3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
SMILESCC(CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)C[C@@H](C)N)CC1
InChIInChI=1S/C19H29N3O3/c1-12(9-17(23)16-11-18(25-21-16)15-3-4-15)14-5-7-22(8-6-14)19(24)10-13(2)20/h11-15H,3-10,20H2,1-2H3/t12?,13-/m1/s1
InChIKeyIABJLVMEYWWNHX-ZGTCLIOFSA-N
MW347.46 g/mol
LogP2.74
Rot. Bonds7

About 3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one

3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one (PubChem CID 158638459) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one.

Molecular Properties

Compound Name3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
PubChem CID158638459
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
SMILESCC(CC(=O)c1cc(C2CC2)on1)C1CCN(C(=O)C[C@@H](C)N)CC1
InChIInChI=1S/C19H29N3O3/c1-12(9-17(23)16-11-18(25-21-16)15-3-4-15)14-5-7-22(8-6-14)19(24)10-13(2)20/h11-15H,3-10,20H2,1-2H3/t12?,13-/m1/s1
InChIKeyIABJLVMEYWWNHX-ZGTCLIOFSA-N
XLogP2.74
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-cyclohexyl-5-cyclopropylisoxazole-3-carboxamide
CID 16188020
N-[1-(2-Chloroacetyl)-4-piperidinyl]-5-cyclopropyl-3-isoxazolecarboxamide
CID 118949515
N-(Butan-2-YL)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 5307751
5-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 5308762
N-cyclohexyl-5-cyclopropyl-N-(2-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 25110498
N,N,5-tricyclohexyl-1,2-oxazole-3-carboxamide
CID 56955980
(5-Cyclopropyl-1,2-oxazol-3-yl)-(3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone
CID 59268960
5-cyclopropyl-N-((2R)-1-(4-fluoropiperidine-4-carbonyl)-2-methylpiperidin-4-yl)isoxazole-3-carboxamide
CID 132242474
N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-methylpiperidin-4-yl)-5-cyclopropylisoxazole-3-carboxamide
CID 118947307
2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide
CID 40777334
N-cyclohexyl-N-(cyclohexylmethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 25110494
5-cyclopropyl-N-(2-methylcyclohexyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
CID 25110501

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one?
The IUPAC name of 3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one (CID 158638459) is 3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one.
What is the SMILES notation for 3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one?
The canonical SMILES for 3-[1-[(3R)-3-aminobutanoyl]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[C@@H](C)N)CC1.
What is the InChIKey of 3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one?
The InChIKey is IABJLVMEYWWNHX-ZGTCLIOFSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-12(9-17(23)16-11-18(25-21-16)15-3-4-15)14-5-7-22(8-6-14)19(24)10-13(2)20/h11-15H,3-10,20H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of 3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one?
3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one has a molecular weight of 347.46 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3R)-3-aminobutanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one is sourced from PubChem (CID 158638459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).