2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide

C20H35N5O3 — CID 55668049

IUPAC2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CCCc2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C20H35N5O3/c1-6-24(7-2)18(27)15-23-11-13-25(14-12-23)17(26)10-8-9-16-21-19(22-28-16)20(3,4)5/h6-15H2,1-5H3
InChIKeyZXNMGNQRICGFME-UHFFFAOYSA-N
MW393.53 g/mol
LogP1.70
Rot. Bonds8

About 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide

2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 55668049) has the molecular formula C20H35N5O3 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide
PubChem CID55668049
Molecular FormulaC20H35N5O3
Molecular Weight393.53 g/mol
Exact Mass393.27
IUPAC Name2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CCCc2nc(C(C)(C)C)no2)CC1
InChIInChI=1S/C20H35N5O3/c1-6-24(7-2)18(27)15-23-11-13-25(14-12-23)17(26)10-8-9-16-21-19(22-28-16)20(3,4)5/h6-15H2,1-5H3
InChIKeyZXNMGNQRICGFME-UHFFFAOYSA-N
XLogP1.70
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]butan-1-one
CID 55668574
N,N-diethyl-2-[4-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butanoyl]piperazin-1-yl]acetamide
CID 55685644
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 146125776
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid
CID 119206094
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[3-(methylamino)piperidin-1-yl]butan-1-one
CID 119492880
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-1-one
CID 38590366
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 55670430
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butan-1-one
CID 39917974
N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide
CID 119837474
N,N-diethyl-2-[4-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]-1,4-diazepan-1-yl]acetamide
CID 55603131
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819
N,N-diethyl-2-[4-[4-(methylamino)butanoyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119837473

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide (CID 55668049) is 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(C(=O)CCCc2nc(C(C)(C)C)no2)CC1.
What is the InChIKey of 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is ZXNMGNQRICGFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N5O3/c1-6-24(7-2)18(27)15-23-11-13-25(14-12-23)17(26)10-8-9-16-21-19(22-28-16)20(3,4)5/h6-15H2,1-5H3.
What are the key properties of 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide?
2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 393.53 g/mol, XLogP of 1.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 55668049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).