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

C24H26Cl2N4O2 — CID 43889604

IUPACN-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide
SMILESCCN(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)C1CCCN(c2ccc(C)cc2)C1
InChIInChI=1S/C24H26Cl2N4O2/c1-3-29(15-22-27-23(28-32-22)20-11-8-18(25)13-21(20)26)24(31)17-5-4-12-30(14-17)19-9-6-16(2)7-10-19/h6-11,13,17H,3-5,12,14-15H2,1-2H3
InChIKeyBFWKMZKHUCBGJZ-UHFFFAOYSA-N
MW473.40 g/mol
LogP5.62
Rot. Bonds6

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

N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide (PubChem CID 43889604) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide
PubChem CID43889604
Molecular FormulaC24H26Cl2N4O2
Molecular Weight473.40 g/mol
Exact Mass472.14
IUPAC NameN-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide
SMILESCCN(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)C1CCCN(c2ccc(C)cc2)C1
InChIInChI=1S/C24H26Cl2N4O2/c1-3-29(15-22-27-23(28-32-22)20-11-8-18(25)13-21(20)26)24(31)17-5-4-12-30(14-17)19-9-6-16(2)7-10-19/h6-11,13,17H,3-5,12,14-15H2,1-2H3
InChIKeyBFWKMZKHUCBGJZ-UHFFFAOYSA-N
XLogP5.62
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.40
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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

(3S)-N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 30153745
(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153604
(3S)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cyclopentyl-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153690
(3R)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 30153628
(3R)-N-tert-butyl-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-methylphenyl)piperidine-3-carboxamide
CID 30153994
N-benzyl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 43934491
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-3-carboxamide
CID 43934743
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 43928557
N,N-dibenzyl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928205
ethyl 3-[[1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carbonyl]amino]benzoate
CID 43934749
(3S)-1-[(2,4-dichlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 762813
N-ethyl-1-ethylsulfonyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 50946254

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide (CID 43889604) is N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide is CCN(Cc1nc(-c2ccc(Cl)cc2Cl)no1)C(=O)C1CCCN(c2ccc(C)cc2)C1.
What is the InChIKey of N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide?
The InChIKey is BFWKMZKHUCBGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-3-29(15-22-27-23(28-32-22)20-11-8-18(25)13-21(20)26)24(31)17-5-4-12-30(14-17)19-9-6-16(2)7-10-19/h6-11,13,17H,3-5,12,14-15H2,1-2H3.
What are the key properties of N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide?
N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide has a molecular weight of 473.40 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-1-(4-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 43889604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).