3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one

C21H33N3O3 — CID 126460018

IUPAC3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)C1CCCN(C(=O)CCc2nnc(CCC3CCCCC3)o2)C1
InChIInChI=1S/C21H33N3O3/c1-2-18(25)17-9-6-14-24(15-17)21(26)13-12-20-23-22-19(27-20)11-10-16-7-4-3-5-8-16/h16-17H,2-15H2,1H3
InChIKeyWTGWECQPGOAFAX-UHFFFAOYSA-N
MW375.51 g/mol
LogP3.73
Rot. Bonds8

About 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one

3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one (PubChem CID 126460018) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
PubChem CID126460018
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
SMILESCCC(=O)C1CCCN(C(=O)CCc2nnc(CCC3CCCCC3)o2)C1
InChIInChI=1S/C21H33N3O3/c1-2-18(25)17-9-6-14-24(15-17)21(26)13-12-20-23-22-19(27-20)11-10-16-7-4-3-5-8-16/h16-17H,2-15H2,1H3
InChIKeyWTGWECQPGOAFAX-UHFFFAOYSA-N
XLogP3.73
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one with MolForge

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Related Compounds

3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one
CID 45215135
3-(5-methyl-1,3,4-oxadiazol-2-yl)-1-piperidin-1-ylpropan-1-one
CID 71684068
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110396132
3-[1-(5-propyl-1,3,4-oxadiazol-2-yl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 72860267
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 62355730
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
3-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728032
3-cyclopentyl-1-[(3S)-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 51895983
ethyl 1-[3-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propanoyl]piperidine-3-carboxylate
CID 110675476
3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 110334636
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide
CID 26405187
1-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 96635007

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one (CID 126460018) is 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one is CCC(=O)C1CCCN(C(=O)CCc2nnc(CCC3CCCCC3)o2)C1.
What is the InChIKey of 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
The InChIKey is WTGWECQPGOAFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-2-18(25)17-9-6-14-24(15-17)21(26)13-12-20-23-22-19(27-20)11-10-16-7-4-3-5-8-16/h16-17H,2-15H2,1H3.
What are the key properties of 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one?
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one has a molecular weight of 375.51 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-1-(3-propanoylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 126460018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).