4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one

C13H20N4O3 — CID 166249901

IUPAC4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one
SMILESCc1nnc(CCC(=O)N2CCNC(=O)C2C(C)C)o1
InChIInChI=1S/C13H20N4O3/c1-8(2)12-13(19)14-6-7-17(12)11(18)5-4-10-16-15-9(3)20-10/h8,12H,4-7H2,1-3H3,(H,14,19)
InChIKeyTVBVDRDOERZYDX-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.29
Rot. Bonds4

About 4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one

4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one (PubChem CID 166249901) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one
PubChem CID166249901
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one
SMILESCc1nnc(CCC(=O)N2CCNC(=O)C2C(C)C)o1
InChIInChI=1S/C13H20N4O3/c1-8(2)12-13(19)14-6-7-17(12)11(18)5-4-10-16-15-9(3)20-10/h8,12H,4-7H2,1-3H3,(H,14,19)
InChIKeyTVBVDRDOERZYDX-UHFFFAOYSA-N
XLogP0.29
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one with MolForge

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Related Compounds

3-(5-Propan-2-yl-1,3,4-oxadiazol-2-yl)-1-(2,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 136519514
(2S)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
CID 164635902
N-cyclopropyl-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 90542136
N-propyl-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 90542138
N-(tert-butyl)-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 90542140
N-ethyl-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 90542146
N-cyclopentyl-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 90542186
N-isopropyl-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 90542190
N-[1-methyl-6-(trifluoromethyl)piperidin-3-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 128985941
N-[(3R,6R)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 129535914
N-[(3R,6S)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 129535915
N-[(3S,6S)-1-methyl-6-(trifluoromethyl)piperidin-3-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 129535916

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one (CID 166249901) is 4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one is Cc1nnc(CCC(=O)N2CCNC(=O)C2C(C)C)o1.
What is the InChIKey of 4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one?
The InChIKey is TVBVDRDOERZYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8(2)12-13(19)14-6-7-17(12)11(18)5-4-10-16-15-9(3)20-10/h8,12H,4-7H2,1-3H3,(H,14,19).
What are the key properties of 4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one?
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one has a molecular weight of 280.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propanoyl]-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 166249901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).