N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C23H32N4O4 — CID 46476811

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NC3CCN(C(=O)C(C)(C)C)CC3)n2)cc1
InChIInChI=1S/C23H32N4O4/c1-5-30-18-8-6-16(7-9-18)21-25-20(31-26-21)11-10-19(28)24-17-12-14-27(15-13-17)22(29)23(2,3)4/h6-9,17H,5,10-15H2,1-4H3,(H,24,28)
InChIKeyYTVNKIYJBBNGHW-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.22
Rot. Bonds7

About N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 46476811) has the molecular formula C23H32N4O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID46476811
Molecular FormulaC23H32N4O4
Molecular Weight428.53 g/mol
Exact Mass428.24
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCCOc1ccc(-c2noc(CCC(=O)NC3CCN(C(=O)C(C)(C)C)CC3)n2)cc1
InChIInChI=1S/C23H32N4O4/c1-5-30-18-8-6-16(7-9-18)21-25-20(31-26-21)11-10-19(28)24-17-12-14-27(15-13-17)22(29)23(2,3)4/h6-9,17H,5,10-15H2,1-4H3,(H,24,28)
InChIKeyYTVNKIYJBBNGHW-UHFFFAOYSA-N
XLogP3.22
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide
CID 119425088
ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 31369329
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylbutan-2-yl)propanamide
CID 37133491
N-[2-(tert-butylamino)-2-oxoethyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 39638742
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 112834506
(3S)-1-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]pyrrolidine-3-carboxylic acid
CID 125118228
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 120815110
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-phenylpiperidin-1-yl)propan-1-one
CID 39581689
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 49072892
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 37266459

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 46476811) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is CCOc1ccc(-c2noc(CCC(=O)NC3CCN(C(=O)C(C)(C)C)CC3)n2)cc1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is YTVNKIYJBBNGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4/c1-5-30-18-8-6-16(7-9-18)21-25-20(31-26-21)11-10-19(28)24-17-12-14-27(15-13-17)22(29)23(2,3)4/h6-9,17H,5,10-15H2,1-4H3,(H,24,28).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 428.53 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 46476811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).