1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide

C24H26Cl2N4O3 — CID 43934885

IUPAC1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide
SMILESCC(COc1ccccc1)NC(=O)C1CCCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1
InChIInChI=1S/C24H26Cl2N4O3/c1-16(15-32-19-7-3-2-4-8-19)27-24(31)17-6-5-11-30(13-17)14-22-28-23(29-33-22)20-10-9-18(25)12-21(20)26/h2-4,7-10,12,16-17H,5-6,11,13-15H2,1H3,(H,27,31)
InChIKeyOMSTXEIBOSFEKB-UHFFFAOYSA-N
MW489.40 g/mol
LogP4.84
Rot. Bonds8

About 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide

1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide (PubChem CID 43934885) has the molecular formula C24H26Cl2N4O3 and a molecular weight of 489.40 g/mol. Its IUPAC name is 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide
PubChem CID43934885
Molecular FormulaC24H26Cl2N4O3
Molecular Weight489.40 g/mol
Exact Mass488.14
IUPAC Name1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide
SMILESCC(COc1ccccc1)NC(=O)C1CCCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1
InChIInChI=1S/C24H26Cl2N4O3/c1-16(15-32-19-7-3-2-4-8-19)27-24(31)17-6-5-11-30(13-17)14-22-28-23(29-33-22)20-10-9-18(25)12-21(20)26/h2-4,7-10,12,16-17H,5-6,11,13-15H2,1H3,(H,27,31)
InChIKeyOMSTXEIBOSFEKB-UHFFFAOYSA-N
XLogP4.84
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.40
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-4-carboxamide
CID 43928593
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide
CID 43931125
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 43934882
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 43934794
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-methoxypropan-2-yl)piperidine-3-carboxamide
CID 43934339
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43934529
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930127
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-(3-propan-2-yloxyphenyl)propyl]piperidine-3-carboxamide
CID 43934765
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-3-carboxamide
CID 43934743
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenoxy)propan-2-yl]piperidine-3-carboxamide
CID 43931346
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 43933936
N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928399

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide (CID 43934885) is 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide is CC(COc1ccccc1)NC(=O)C1CCCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1.
What is the InChIKey of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide?
The InChIKey is OMSTXEIBOSFEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O3/c1-16(15-32-19-7-3-2-4-8-19)27-24(31)17-6-5-11-30(13-17)14-22-28-23(29-33-22)20-10-9-18(25)12-21(20)26/h2-4,7-10,12,16-17H,5-6,11,13-15H2,1H3,(H,27,31).
What are the key properties of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide?
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide has a molecular weight of 489.40 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43934885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).