1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one

C18H20N4O5 — CID 56873501

IUPAC1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one
SMILESCCCc1nnc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)o1
InChIInChI=1S/C18H20N4O5/c1-2-3-15-19-20-17(27-15)18(24)22-7-6-21(16(23)10-22)9-12-4-5-13-14(8-12)26-11-25-13/h4-5,8H,2-3,6-7,9-11H2,1H3
InChIKeyXAGVHNCTWSHUPS-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.24
Rot. Bonds5

About 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one

1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one (PubChem CID 56873501) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one
PubChem CID56873501
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one
SMILESCCCc1nnc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)o1
InChIInChI=1S/C18H20N4O5/c1-2-3-15-19-20-17(27-15)18(24)22-7-6-21(16(23)10-22)9-12-4-5-13-14(8-12)26-11-25-13/h4-5,8H,2-3,6-7,9-11H2,1H3
InChIKeyXAGVHNCTWSHUPS-UHFFFAOYSA-N
XLogP1.24
TPSA98.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one with MolForge

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Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-4-(pyridine-4-carbonyl)piperazin-2-one;2,2,2-trifluoroacetic acid
CID 154888174
1-(1,3-benzodioxol-5-ylmethyl)-4-[(2R)-2-pyrazol-1-ylbutanoyl]piperazin-2-one
CID 97127583
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392840
4-(1,3-benzodioxol-5-ylmethyl)-1-ethylpiperazin-2-one
CID 117013566
1-(1,3-benzodioxol-5-ylmethyl)-4-[[6-(dimethylamino)-3-pyridinyl]methyl]piperazin-2-one
CID 77091740
3-(1,3-benzodioxol-5-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419876
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988489
1-(1,3-benzodioxol-5-ylmethyl)-3-(ethylamino)pyrrolidin-2-one
CID 62906981
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4-ethyl-5-methylthiophen-3-yl)methanone
CID 25236896
1-(1,3-benzodioxol-5-ylmethyl)piperazine-2,5-dione
CID 64955374
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]hexan-1-one
CID 3309155
(6R)-4-[3-(1,3-benzodioxol-5-yl)propanoyl]-6-methoxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one
CID 26133439

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one (CID 56873501) is 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one is CCCc1nnc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)C(=O)C2)o1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one?
The InChIKey is XAGVHNCTWSHUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-2-3-15-19-20-17(27-15)18(24)22-7-6-21(16(23)10-22)9-12-4-5-13-14(8-12)26-11-25-13/h4-5,8H,2-3,6-7,9-11H2,1H3.
What are the key properties of 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one?
1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one has a molecular weight of 372.38 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethyl)-4-(5-propyl-1,3,4-oxadiazole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 56873501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).