1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one

C17H20BrN3O2 — CID 124593535

IUPAC1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
SMILESN[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C1
InChIInChI=1S/C17H20BrN3O2/c18-14-6-2-1-5-13(14)15-10-20-16(23-15)7-8-17(22)21-9-3-4-12(19)11-21/h1-2,5-6,10,12H,3-4,7-9,11,19H2/t12-/m1/s1
InChIKeyPYHKHZSFPXRWLA-GFCCVEGCSA-N
MW378.27 g/mol
LogP2.99
Rot. Bonds4

About 1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one

1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one (PubChem CID 124593535) has the molecular formula C17H20BrN3O2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
PubChem CID124593535
Molecular FormulaC17H20BrN3O2
Molecular Weight378.27 g/mol
Exact Mass377.07
IUPAC Name1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
SMILESN[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C1
InChIInChI=1S/C17H20BrN3O2/c18-14-6-2-1-5-13(14)15-10-20-16(23-15)7-8-17(22)21-9-3-4-12(19)11-21/h1-2,5-6,10,12H,3-4,7-9,11,19H2/t12-/m1/s1
InChIKeyPYHKHZSFPXRWLA-GFCCVEGCSA-N
XLogP2.99
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-aminopyrrolidin-1-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119482722
1-(3-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119379130
3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid
CID 124701703
1-(3-aminopiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
CID 115277240
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119488208
1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119374553
1-[3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoyl]-N-phenylpiperidine-3-carboxamide
CID 18138431
1-[3-(hydroxymethyl)piperidin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 110890206
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120571841
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451068
N-(2-aminoethyl)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidine-3-carboxamide
CID 119480187
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one (CID 124593535) is 1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one is N[C@@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3Br)o2)C1.
What is the InChIKey of 1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one?
The InChIKey is PYHKHZSFPXRWLA-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20BrN3O2/c18-14-6-2-1-5-13(14)15-10-20-16(23-15)7-8-17(22)21-9-3-4-12(19)11-21/h1-2,5-6,10,12H,3-4,7-9,11,19H2/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one?
1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one has a molecular weight of 378.27 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one is sourced from PubChem (CID 124593535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).