1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

C20H29ClN4O — CID 120863041

IUPAC1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCC(c1nc(C2(N)CCC2)no1)N1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C20H28N4O.ClH/c1-15(18-22-19(23-25-18)20(21)10-5-11-20)24-12-8-17(9-13-24)14-16-6-3-2-4-7-16;/h2-4,6-7,15,17H,5,8-14,21H2,1H3;1H
InChIKeyZCCLVVZVSYPPLB-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.85
Rot. Bonds5

About 1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride

1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (PubChem CID 120863041) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is 1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
PubChem CID120863041
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC Name1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
SMILESCC(c1nc(C2(N)CCC2)no1)N1CCC(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C20H28N4O.ClH/c1-15(18-22-19(23-25-18)20(21)10-5-11-20)24-12-8-17(9-13-24)14-16-6-3-2-4-7-16;/h2-4,6-7,15,17H,5,8-14,21H2,1H3;1H
InChIKeyZCCLVVZVSYPPLB-UHFFFAOYSA-N
XLogP3.85
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride with MolForge

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Related Compounds

5-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1,2,4-oxadiazole
CID 75805432
1-[5-[1-(azepan-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859136
1-[5-(1-benzylsulfanyl-2-methylpropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859992
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylacetamide
CID 120860986
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
1-[5-(1-cyclohexylpropan-2-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120861523
1-[5-(1-phenoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120853877
2-[(1R)-1-(4-benzylpiperidin-1-yl)ethyl]-3H-quinazolin-4-one
CID 135612926
1-[5-[1-(4-phenylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859641
1-[5-[1-(3,5-dimethylpyrazol-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859773
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]benzamide
CID 120861770

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride (CID 120863041) is 1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is CC(c1nc(C2(N)CCC2)no1)N1CCC(Cc2ccccc2)CC1.Cl.
What is the InChIKey of 1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
The InChIKey is ZCCLVVZVSYPPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O.ClH/c1-15(18-22-19(23-25-18)20(21)10-5-11-20)24-12-8-17(9-13-24)14-16-6-3-2-4-7-16;/h2-4,6-7,15,17H,5,8-14,21H2,1H3;1H.
What are the key properties of 1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride?
1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride has a molecular weight of 376.93 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-(4-benzylpiperidin-1-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 120863041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).