N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

C22H30N4O4 — CID 55950901

IUPACN-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2ccc(OCc3noc(C)n3)cc2)CC1
InChIInChI=1S/C22H30N4O4/c1-4-16(5-2)22(28)26-12-10-18(11-13-26)24-21(27)17-6-8-19(9-7-17)29-14-20-23-15(3)30-25-20/h6-9,16,18H,4-5,10-14H2,1-3H3,(H,24,27)
InChIKeyITAZPCILRGWSNO-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.11
Rot. Bonds8

About N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 55950901) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID55950901
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC NameN-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2ccc(OCc3noc(C)n3)cc2)CC1
InChIInChI=1S/C22H30N4O4/c1-4-16(5-2)22(28)26-12-10-18(11-13-26)24-21(27)17-6-8-19(9-7-17)29-14-20-23-15(3)30-25-20/h6-9,16,18H,4-5,10-14H2,1-3H3,(H,24,27)
InChIKeyITAZPCILRGWSNO-UHFFFAOYSA-N
XLogP3.11
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide with MolForge

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 30855376
N-[(1S)-1-cyclopropylethyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 32893352
N-ethyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 47137708
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoate
CID 42392819
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]-piperidin-1-ylmethanone
CID 46673348
N-[(2S)-3-methylbutan-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 25362920
4-(aminomethyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 119289463
(4-ethylphenyl)-[4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 55586338
N-[cyclohexyl(phenyl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 46457447
(4-benzylpiperidin-1-yl)-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanone
CID 46516189
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 56551658

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 55950901) is N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(OCc3noc(C)n3)cc2)CC1.
What is the InChIKey of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is ITAZPCILRGWSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-4-16(5-2)22(28)26-12-10-18(11-13-26)24-21(27)17-6-8-19(9-7-17)29-14-20-23-15(3)30-25-20/h6-9,16,18H,4-5,10-14H2,1-3H3,(H,24,27).
What are the key properties of N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 414.51 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylbutanoyl)piperidin-4-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 55950901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).