N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C26H30N4O5 — CID 50835620

IUPACN-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCCOc1ccc(C(=O)N2CCCC(c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1OCC
InChIInChI=1S/C26H30N4O5/c1-4-33-22-13-10-19(15-23(22)34-5-2)26(32)30-14-6-7-20(16-30)25-28-24(29-35-25)18-8-11-21(12-9-18)27-17(3)31/h8-13,15,20H,4-7,14,16H2,1-3H3,(H,27,31)
InChIKeyMTEZYWAXTABKIE-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.51
Rot. Bonds8

About N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 50835620) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID50835620
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC NameN-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCCOc1ccc(C(=O)N2CCCC(c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1OCC
InChIInChI=1S/C26H30N4O5/c1-4-33-22-13-10-19(15-23(22)34-5-2)26(32)30-14-6-7-20(16-30)25-28-24(29-35-25)18-8-11-21(12-9-18)27-17(3)31/h8-13,15,20H,4-7,14,16H2,1-3H3,(H,27,31)
InChIKeyMTEZYWAXTABKIE-UHFFFAOYSA-N
XLogP4.51
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[5-[1-(3,4,5-trimethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 50835838
N-[4-[5-[(3S)-1-(3,4-difluorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897424
[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 52521512
N-[4-[5-[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071646
N-[4-[5-[(3R)-1-(3-bromobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897499
N-[4-[5-[(3S)-1-(4-tert-butylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897412
N-[4-[5-[(3S)-1-(5-bromopyridine-3-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 92897480
(3,4-dimethoxyphenyl)-[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456302
[(3R)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 1456451
[(3S)-3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 1456452
N-[4-[5-[(3R)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071652
N-[4-[5-[1-(5-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 50835669

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 50835620) is N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is CCOc1ccc(C(=O)N2CCCC(c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1OCC.
What is the InChIKey of N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is MTEZYWAXTABKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-4-33-22-13-10-19(15-23(22)34-5-2)26(32)30-14-6-7-20(16-30)25-28-24(29-35-25)18-8-11-21(12-9-18)27-17(3)31/h8-13,15,20H,4-7,14,16H2,1-3H3,(H,27,31).
What are the key properties of N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 478.55 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 50835620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).