1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one

C19H30N4O3 — CID 75444755

IUPAC1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)CCc2nc(C3CC3)no2)C(C)(C)C1
InChIInChI=1S/C19H30N4O3/c1-18(2,3)17(25)22-10-11-23(19(4,5)12-22)15(24)9-8-14-20-16(21-26-14)13-6-7-13/h13H,6-12H2,1-5H3
InChIKeyIGDQROPLKAIVHN-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.38
Rot. Bonds4

About 1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 75444755) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID75444755
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)CCc2nc(C3CC3)no2)C(C)(C)C1
InChIInChI=1S/C19H30N4O3/c1-18(2,3)17(25)22-10-11-23(19(4,5)12-22)15(24)9-8-14-20-16(21-26-14)13-6-7-13/h13H,6-12H2,1-5H3
InChIKeyIGDQROPLKAIVHN-UHFFFAOYSA-N
XLogP2.38
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one (CID 75444755) is 1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCN(C(=O)CCc2nc(C3CC3)no2)C(C)(C)C1.
What is the InChIKey of 1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is IGDQROPLKAIVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-18(2,3)17(25)22-10-11-23(19(4,5)12-22)15(24)9-8-14-20-16(21-26-14)13-6-7-13/h13H,6-12H2,1-5H3.
What are the key properties of 1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 362.47 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,3-dimethylpiperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 75444755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).