N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide

C25H26BrClN4O4 — CID 5220700

IUPACN-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Br)cc2)no1)C(=O)c1ccccc1Cl
InChIInChI=1S/C25H26BrClN4O4/c1-34-15-14-30(25(33)19-6-2-3-7-20(19)27)16-22(32)31-13-5-4-8-21(31)24-28-23(29-35-24)17-9-11-18(26)12-10-17/h2-3,6-7,9-12,21H,4-5,8,13-16H2,1H3
InChIKeyVRQAPEDJRCRIOR-UHFFFAOYSA-N
MW561.86 g/mol
LogP4.99
Rot. Bonds8

About N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide

N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide (PubChem CID 5220700) has the molecular formula C25H26BrClN4O4 and a molecular weight of 561.86 g/mol. Its IUPAC name is N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide
PubChem CID5220700
Molecular FormulaC25H26BrClN4O4
Molecular Weight561.86 g/mol
Exact Mass560.08
IUPAC NameN-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide
SMILESCOCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Br)cc2)no1)C(=O)c1ccccc1Cl
InChIInChI=1S/C25H26BrClN4O4/c1-34-15-14-30(25(33)19-6-2-3-7-20(19)27)16-22(32)31-13-5-4-8-21(31)24-28-23(29-35-24)17-9-11-18(26)12-10-17/h2-3,6-7,9-12,21H,4-5,8,13-16H2,1H3
InChIKeyVRQAPEDJRCRIOR-UHFFFAOYSA-N
XLogP4.99
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.86
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 4647461
4-bromo-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 42766100
(E)-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 6090029
[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 42765128
N-benzyl-N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 3640682
N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42767293
N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-phenoxy-N-propylacetamide
CID 3558850
N-(2-methoxyethyl)-N-methyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68685654
N-[2-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 3927157
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 4283064
1-[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 812538
N-benzyl-N-[2-[(2R)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]nonanamide
CID 98396509

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide?
The IUPAC name of N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide (CID 5220700) is N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide?
The canonical SMILES for N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide is COCCN(CC(=O)N1CCCCC1c1nc(-c2ccc(Br)cc2)no1)C(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide?
The InChIKey is VRQAPEDJRCRIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26BrClN4O4/c1-34-15-14-30(25(33)19-6-2-3-7-20(19)27)16-22(32)31-13-5-4-8-21(31)24-28-23(29-35-24)17-9-11-18(26)12-10-17/h2-3,6-7,9-12,21H,4-5,8,13-16H2,1H3.
What are the key properties of N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide?
N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide has a molecular weight of 561.86 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]-2-chloro-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 5220700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).