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

C24H25ClN4O4 — CID 50835696

IUPACN-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)N2CCCC(c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1Cl
InChIInChI=1S/C24H25ClN4O4/c1-15(30)26-19-8-6-17(7-9-19)23-27-24(33-28-23)18-4-3-11-29(14-18)22(31)13-16-5-10-21(32-2)20(25)12-16/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,26,30)
InChIKeyUTGCDBIBZFQJEQ-UHFFFAOYSA-N
MW468.94 g/mol
LogP4.31
Rot. Bonds6

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

N-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 50835696) has the molecular formula C24H25ClN4O4 and a molecular weight of 468.94 g/mol. Its IUPAC name is N-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID50835696
Molecular FormulaC24H25ClN4O4
Molecular Weight468.94 g/mol
Exact Mass468.16
IUPAC NameN-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)N2CCCC(c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1Cl
InChIInChI=1S/C24H25ClN4O4/c1-15(30)26-19-8-6-17(7-9-19)23-27-24(33-28-23)18-4-3-11-29(14-18)22(31)13-16-5-10-21(32-2)20(25)12-16/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,26,30)
InChIKeyUTGCDBIBZFQJEQ-UHFFFAOYSA-N
XLogP4.31
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-[(3R)-1-[2-(4-methoxyphenoxy)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071652
N-[4-[2-[4-[3-(4-acetamidophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 53130348
N-[4-[5-[1-(3,4-diethoxybenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 50835620
2-(3-chloro-4-methoxyphenyl)-1-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 91888728
N-[4-[5-[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 93071646
2-(3-chloro-4-methoxyphenyl)-1-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 91916617
(3R)-N-(4-methoxyphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456358
2-(4-fluorophenyl)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 66618684
2-(3-methoxyphenyl)-1-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 1454443
1-[3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 3226096
1-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 42760396

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 50835696) is N-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is COc1ccc(CC(=O)N2CCCC(c3nc(-c4ccc(NC(C)=O)cc4)no3)C2)cc1Cl.
What is the InChIKey of N-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is UTGCDBIBZFQJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4/c1-15(30)26-19-8-6-17(7-9-19)23-27-24(33-28-23)18-4-3-11-29(14-18)22(31)13-16-5-10-21(32-2)20(25)12-16/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,26,30).
What are the key properties of N-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
N-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 468.94 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[1-[2-(3-chloro-4-methoxyphenyl)acetyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 50835696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).