cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone

C17H28N4O2 — CID 110395857

IUPACcyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCC(C)c1nnc(CN2CCN(C(=O)C3CCCCC3)CC2)o1
InChIInChI=1S/C17H28N4O2/c1-13(2)16-19-18-15(23-16)12-20-8-10-21(11-9-20)17(22)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyYQKNIRNUZJOKQD-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.42
Rot. Bonds4

About cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone

cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 110395857) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID110395857
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Namecyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
SMILESCC(C)c1nnc(CN2CCN(C(=O)C3CCCCC3)CC2)o1
InChIInChI=1S/C17H28N4O2/c1-13(2)16-19-18-15(23-16)12-20-8-10-21(11-9-20)17(22)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3
InChIKeyYQKNIRNUZJOKQD-UHFFFAOYSA-N
XLogP2.42
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

3,3-dimethyl-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 110395933
cyclopropyl-[4-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 171993029
cyclopentyl-[4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110395704
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82120186
3-(4-methylphenyl)-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 137342970
[4-(1,3-benzoxazol-2-ylmethyl)piperazin-1-yl]-cyclopentylmethanone
CID 36880399
(3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395871
1,3-benzodioxol-5-yl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 110395906
2-(4-ethoxyphenyl)-1-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 110395889
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110396132

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone (CID 110395857) is cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone is CC(C)c1nnc(CN2CCN(C(=O)C3CCCCC3)CC2)o1.
What is the InChIKey of cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is YQKNIRNUZJOKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)16-19-18-15(23-16)12-20-8-10-21(11-9-20)17(22)14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3.
What are the key properties of cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone?
cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 320.44 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110395857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).