4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide

C12H19N5O3 — CID 110396060

IUPAC4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2nnc(C)o2)CC1
InChIInChI=1S/C12H19N5O3/c1-3-4-13-12(19)17-7-5-16(6-8-17)11(18)10-15-14-9(2)20-10/h3-8H2,1-2H3,(H,13,19)
InChIKeyFYFUUIQLBLRUKD-UHFFFAOYSA-N
MW281.32 g/mol
LogP0.26
Rot. Bonds3

About 4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide

4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide (PubChem CID 110396060) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide
PubChem CID110396060
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)c2nnc(C)o2)CC1
InChIInChI=1S/C12H19N5O3/c1-3-4-13-12(19)17-7-5-16(6-8-17)11(18)10-15-14-9(2)20-10/h3-8H2,1-2H3,(H,13,19)
InChIKeyFYFUUIQLBLRUKD-UHFFFAOYSA-N
XLogP0.26
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-phenylpiperazine-1-carboxamide
CID 110396026
2,2-dimethyl-1-[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]propan-1-one
CID 110395984
[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110395983
N-propylmorpholine-4-carboxamide
CID 3410822
4-(3,5-dimethoxybenzoyl)-N-propylpiperazine-1-carboxamide
CID 110365697
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 110392830
4-butanoyl-N-propylpiperazine-1-carboxamide
CID 110810606
[(1R,5S)-3-azabicyclo[3.2.0]heptan-3-yl]-(5-methyl-1,3,4-oxadiazol-2-yl)methanone
CID 166266987
4-(2-methoxy-4,6-dimethylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812720
4-(2-methoxy-4,5-dimethylbenzoyl)-N-propyl-1,4-diazepane-1-carboxamide
CID 110813465
4-(4-methoxy-3-methylbenzoyl)-N-propylpiperazine-1-carboxamide
CID 110812267

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide (CID 110396060) is 4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)c2nnc(C)o2)CC1.
What is the InChIKey of 4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide?
The InChIKey is FYFUUIQLBLRUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-3-4-13-12(19)17-7-5-16(6-8-17)11(18)10-15-14-9(2)20-10/h3-8H2,1-2H3,(H,13,19).
What are the key properties of 4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide?
4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110396060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).