N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

C19H26Cl2N4O2 — CID 119782331

IUPACN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)C1CCCNC1.Cl
InChIInChI=1S/C19H25ClN4O2.ClH/c1-13(15-3-2-9-21-12-15)11-17(25)22-10-8-18-23-19(24-26-18)14-4-6-16(20)7-5-14;/h4-7,13,15,21H,2-3,8-12H2,1H3,(H,22,25);1H
InChIKeyOGLIRTMYVGISJC-UHFFFAOYSA-N
MW413.35 g/mol
LogP3.50
Rot. Bonds7

About N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119782331) has the molecular formula C19H26Cl2N4O2 and a molecular weight of 413.35 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119782331
Molecular FormulaC19H26Cl2N4O2
Molecular Weight413.35 g/mol
Exact Mass412.14
IUPAC NameN-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)C1CCCNC1.Cl
InChIInChI=1S/C19H25ClN4O2.ClH/c1-13(15-3-2-9-21-12-15)11-17(25)22-10-8-18-23-19(24-26-18)14-4-6-16(20)7-5-14;/h4-7,13,15,21H,2-3,8-12H2,1H3,(H,22,25);1H
InChIKeyOGLIRTMYVGISJC-UHFFFAOYSA-N
XLogP3.50
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119690043
N-[2-(2-methylphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119688188
N-piperidin-3-yl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119425634
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 4897572
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(oxolan-2-yl)propanamide
CID 56785183
N-[2-(ethylsulfonylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723723
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769948
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119326204
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048775
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119386389
3-piperidin-3-yl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119888187

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119782331) is N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)C1CCCNC1.Cl.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is OGLIRTMYVGISJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2.ClH/c1-13(15-3-2-9-21-12-15)11-17(25)22-10-8-18-23-19(24-26-18)14-4-6-16(20)7-5-14;/h4-7,13,15,21H,2-3,8-12H2,1H3,(H,22,25);1H.
What are the key properties of N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 413.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119782331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).