2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one

C12H19ClN4O2 — CID 106958406

IUPAC2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1nnc(CCCl)o1)C(=O)N1CCCCC1
InChIInChI=1S/C12H19ClN4O2/c1-9(11(18)17-7-3-2-4-8-17)14-12-16-15-10(19-12)5-6-13/h9H,2-8H2,1H3,(H,14,16)
InChIKeyKTQROUBFMLORLX-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.66
Rot. Bonds5

About 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one

2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 106958406) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID106958406
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1nnc(CCCl)o1)C(=O)N1CCCCC1
InChIInChI=1S/C12H19ClN4O2/c1-9(11(18)17-7-3-2-4-8-17)14-12-16-15-10(19-12)5-6-13/h9H,2-8H2,1H3,(H,14,16)
InChIKeyKTQROUBFMLORLX-UHFFFAOYSA-N
XLogP1.66
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one with MolForge

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Related Compounds

2-[[5-(2-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106964276
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 106964162
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methylpropyl)propanamide
CID 106958401
5-(2-chloroethyl)-N-(1-cyclohexylethyl)-1,3,4-oxadiazol-2-amine
CID 106957600
2-[[5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 106964127
2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112696405
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylethanone
CID 106958394
2-[[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
CID 106957266
N-[2-[5-(propan-2-ylamino)-1,3,4-oxadiazol-2-yl]ethyl]acetamide
CID 83885775
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113350190
2-[(1-methylpyrazol-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79769934
4-chloro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 63307556

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one (CID 106958406) is 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one is CC(Nc1nnc(CCCl)o1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is KTQROUBFMLORLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-9(11(18)17-7-3-2-4-8-17)14-12-16-15-10(19-12)5-6-13/h9H,2-8H2,1H3,(H,14,16).
What are the key properties of 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one?
2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 286.76 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 106958406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).