N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C21H28N4O4 — CID 112834506

IUPACN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CCCc3nc(C)no3)CC2)cc1
InChIInChI=1S/C21H28N4O4/c1-3-28-18-9-7-16(8-10-18)21(27)25-13-11-17(12-14-25)23-19(26)5-4-6-20-22-15(2)24-29-20/h7-10,17H,3-6,11-14H2,1-2H3,(H,23,26)
InChIKeyGWEKXCZTHKHRGB-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.52
Rot. Bonds8

About N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 112834506) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID112834506
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCCOc1ccc(C(=O)N2CCC(NC(=O)CCCc3nc(C)no3)CC2)cc1
InChIInChI=1S/C21H28N4O4/c1-3-28-18-9-7-16(8-10-18)21(27)25-13-11-17(12-14-25)23-19(26)5-4-6-20-22-15(2)24-29-20/h7-10,17H,3-6,11-14H2,1-2H3,(H,23,26)
InChIKeyGWEKXCZTHKHRGB-UHFFFAOYSA-N
XLogP2.52
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 112824013
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46476811
5-(1,3-benzothiazol-2-yl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]pentanamide
CID 112804098
ethyl 4-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]piperidine-1-carboxylate
CID 55821563
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112838965
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112807624
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
4-(4-ethoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxobutanamide
CID 38022224
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 49072892
2-(4-ethoxyphenyl)-N-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]acetamide
CID 108561343
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 112834506) is N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is CCOc1ccc(C(=O)N2CCC(NC(=O)CCCc3nc(C)no3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is GWEKXCZTHKHRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-3-28-18-9-7-16(8-10-18)21(27)25-13-11-17(12-14-25)23-19(26)5-4-6-20-22-15(2)24-29-20/h7-10,17H,3-6,11-14H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 400.48 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 112834506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).