1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

C15H19N3O2S — CID 95578538

IUPAC1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCc1noc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n1
InChIInChI=1S/C15H19N3O2S/c1-11-16-15(20-17-11)12-4-2-8-18(10-12)14(19)7-6-13-5-3-9-21-13/h3,5,9,12H,2,4,6-8,10H2,1H3/t12-/m1/s1
InChIKeyHCGRSLAOCRQCIM-GFCCVEGCSA-N
MW305.40 g/mol
LogP2.78
Rot. Bonds4

About 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one

1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (PubChem CID 95578538) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
PubChem CID95578538
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
SMILESCc1noc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n1
InChIInChI=1S/C15H19N3O2S/c1-11-16-15(20-17-11)12-4-2-8-18(10-12)14(19)7-6-13-5-3-9-21-13/h3,5,9,12H,2,4,6-8,10H2,1H3/t12-/m1/s1
InChIKeyHCGRSLAOCRQCIM-GFCCVEGCSA-N
XLogP2.78
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 136578753
1-[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95734726
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124981783
1-[(3R)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95736887
1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 127247595
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 51120866
3-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728032
3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 124806662
1-[3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 56686217
1-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95280551
1-[3-(hydroxymethyl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 43422310
3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 60525989

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one (CID 95578538) is 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is Cc1noc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n1.
What is the InChIKey of 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
The InChIKey is HCGRSLAOCRQCIM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-16-15(20-17-11)12-4-2-8-18(10-12)14(19)7-6-13-5-3-9-21-13/h3,5,9,12H,2,4,6-8,10H2,1H3/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one?
1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one has a molecular weight of 305.40 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 95578538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).