4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

C18H25ClN4O3 — CID 120599625

IUPAC4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCCc1nc(COc2ccc(C(=O)NC3CCNC(C)C3)cc2)no1.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-3-17-21-16(22-25-17)11-24-15-6-4-13(5-7-15)18(23)20-14-8-9-19-12(2)10-14;/h4-7,12,14,19H,3,8-11H2,1-2H3,(H,20,23);1H
InChIKeyXYIOTHGCKPXYGC-UHFFFAOYSA-N
MW380.88 g/mol
LogP2.50
Rot. Bonds6

About 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120599625) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120599625
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCCc1nc(COc2ccc(C(=O)NC3CCNC(C)C3)cc2)no1.Cl
InChIInChI=1S/C18H24N4O3.ClH/c1-3-17-21-16(22-25-17)11-24-15-6-4-13(5-7-15)18(23)20-14-8-9-19-12(2)10-14;/h4-7,12,14,19H,3,8-11H2,1-2H3,(H,20,23);1H
InChIKeyXYIOTHGCKPXYGC-UHFFFAOYSA-N
XLogP2.50
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 126777122
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119610419
N-(2-aminoethyl)-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119383309
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556658
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119446462
4-(3-methylbutoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120598414
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-methyl-N-piperidin-4-ylbenzamide
CID 119442398
2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]-2-methylpropanoic acid
CID 119187712
5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
CID 119234883
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119824236

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120599625) is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is CCc1nc(COc2ccc(C(=O)NC3CCNC(C)C3)cc2)no1.Cl.
What is the InChIKey of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is XYIOTHGCKPXYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3.ClH/c1-3-17-21-16(22-25-17)11-24-15-6-4-13(5-7-15)18(23)20-14-8-9-19-12(2)10-14;/h4-7,12,14,19H,3,8-11H2,1-2H3,(H,20,23);1H.
What are the key properties of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride?
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 380.88 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120599625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).