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

C26H30Cl2N4O2 — CID 43934882

IUPAC1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
SMILESCc1ccccc1C(NC(=O)C1CCCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1)C(C)C
InChIInChI=1S/C26H30Cl2N4O2/c1-16(2)24(20-9-5-4-7-17(20)3)30-26(33)18-8-6-12-32(14-18)15-23-29-25(31-34-23)21-11-10-19(27)13-22(21)28/h4-5,7,9-11,13,16,18,24H,6,8,12,14-15H2,1-3H3,(H,30,33)
InChIKeyISEVDXGAKQOLPQ-UHFFFAOYSA-N
MW501.46 g/mol
LogP6.08
Rot. Bonds7

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

1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide (PubChem CID 43934882) has the molecular formula C26H30Cl2N4O2 and a molecular weight of 501.46 g/mol. Its IUPAC name is 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
PubChem CID43934882
Molecular FormulaC26H30Cl2N4O2
Molecular Weight501.46 g/mol
Exact Mass500.17
IUPAC Name1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
SMILESCc1ccccc1C(NC(=O)C1CCCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1)C(C)C
InChIInChI=1S/C26H30Cl2N4O2/c1-16(2)24(20-9-5-4-7-17(20)3)30-26(33)18-8-6-12-32(14-18)15-23-29-25(31-34-23)21-11-10-19(27)13-22(21)28/h4-5,7,9-11,13,16,18,24H,6,8,12,14-15H2,1-3H3,(H,30,33)
InChIKeyISEVDXGAKQOLPQ-UHFFFAOYSA-N
XLogP6.08
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.46
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(1-phenoxypropan-2-yl)piperidine-3-carboxamide
CID 43934885
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide
CID 43933801
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-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 43933654
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-methoxyphenyl)piperidine-3-carboxamide
CID 43934529
N-benzhydryl-1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43928399
N-butan-2-yl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929446
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 43933937
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(3-methylphenyl)-phenylmethyl]piperidine-3-carboxamide
CID 43934003
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 43928504
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43934860
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-N-phenylpiperidine-3-carboxamide
CID 43934743

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide (CID 43934882) is 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide is Cc1ccccc1C(NC(=O)C1CCCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)C1)C(C)C.
What is the InChIKey of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is ISEVDXGAKQOLPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Cl2N4O2/c1-16(2)24(20-9-5-4-7-17(20)3)30-26(33)18-8-6-12-32(14-18)15-23-29-25(31-34-23)21-11-10-19(27)13-22(21)28/h4-5,7,9-11,13,16,18,24H,6,8,12,14-15H2,1-3H3,(H,30,33).
What are the key properties of 1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide?
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 501.46 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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-[2-methyl-1-(2-methylphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 43934882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).