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

C19H27ClN4O3 — CID 119556658

IUPAC4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCCc1nc(COc2ccc(C(=O)NCCC3CCCNC3)cc2)no1.Cl
InChIInChI=1S/C19H26N4O3.ClH/c1-2-18-22-17(23-26-18)13-25-16-7-5-15(6-8-16)19(24)21-11-9-14-4-3-10-20-12-14;/h5-8,14,20H,2-4,9-13H2,1H3,(H,21,24);1H
InChIKeyHMHOXOAKTDMISA-UHFFFAOYSA-N
MW394.90 g/mol
LogP2.75
Rot. Bonds8

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

4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119556658) has the molecular formula C19H27ClN4O3 and a molecular weight of 394.90 g/mol. Its IUPAC name is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119556658
Molecular FormulaC19H27ClN4O3
Molecular Weight394.90 g/mol
Exact Mass394.18
IUPAC Name4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCCc1nc(COc2ccc(C(=O)NCCC3CCCNC3)cc2)no1.Cl
InChIInChI=1S/C19H26N4O3.ClH/c1-2-18-22-17(23-26-18)13-25-16-7-5-15(6-8-16)19(24)21-11-9-14-4-3-10-20-12-14;/h5-8,14,20H,2-4,9-13H2,1H3,(H,21,24);1H
InChIKeyHMHOXOAKTDMISA-UHFFFAOYSA-N
XLogP2.75
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride with MolForge

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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-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
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-piperazin-1-ylethyl)benzamide
CID 119446462
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120599625
5-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]amino]pentanoic acid
CID 119234883
4-butoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534630
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-methyl-N-piperidin-4-ylbenzamide
CID 119442398
N-[2-(aminomethyl)cyclohexyl]-4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide;hydrochloride
CID 119610419
4-(cyclohexylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119537467
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-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119556658) is 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is CCc1nc(COc2ccc(C(=O)NCCC3CCCNC3)cc2)no1.Cl.
What is the InChIKey of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is HMHOXOAKTDMISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.ClH/c1-2-18-22-17(23-26-18)13-25-16-7-5-15(6-8-16)19(24)21-11-9-14-4-3-10-20-12-14;/h5-8,14,20H,2-4,9-13H2,1H3,(H,21,24);1H.
What are the key properties of 4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 2.75, 8 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-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119556658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).