N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide

C26H27N3O5 — CID 51069997

IUPACN-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCCCC3C(=O)NCc3ccc4c(c3)OCO4)no2)cc1C
InChIInChI=1S/C26H27N3O5/c1-16-6-8-19(11-17(16)2)23-13-20(28-34-23)26(31)29-10-4-3-5-21(29)25(30)27-14-18-7-9-22-24(12-18)33-15-32-22/h6-9,11-13,21H,3-5,10,14-15H2,1-2H3,(H,27,30)
InChIKeyTZNCEYQINBZMAN-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.00
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide (PubChem CID 51069997) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
PubChem CID51069997
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N3CCCCC3C(=O)NCc3ccc4c(c3)OCO4)no2)cc1C
InChIInChI=1S/C26H27N3O5/c1-16-6-8-19(11-17(16)2)23-13-20(28-34-23)26(31)29-10-4-3-5-21(29)25(30)27-14-18-7-9-22-24(12-18)33-15-32-22/h6-9,11-13,21H,3-5,10,14-15H2,1-2H3,(H,27,30)
InChIKeyTZNCEYQINBZMAN-UHFFFAOYSA-N
XLogP4.00
TPSA93.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-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

(2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 93140596
N-(1,3-benzodioxol-5-ylmethyl)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxamide
CID 4260306
(2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
CID 94360991
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792243
N-(1,3-benzodioxol-5-ylmethyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093805
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 39892035
N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
CID 134796269
N-[[5-(1,3-benzodioxol-5-yl)-1,2-oxazol-3-yl]methyl]cyclopropanecarboxamide
CID 27370128
N-(1,3-benzodioxol-5-ylmethyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909803
(2S)-2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468684
1-[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 51070682
N-(1,3-benzodioxol-5-ylmethyl)-1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxamide
CID 56807672

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide (CID 51069997) is N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide is Cc1ccc(-c2cc(C(=O)N3CCCCC3C(=O)NCc3ccc4c(c3)OCO4)no2)cc1C.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide?
The InChIKey is TZNCEYQINBZMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-16-6-8-19(11-17(16)2)23-13-20(28-34-23)26(31)29-10-4-3-5-21(29)25(30)27-14-18-7-9-22-24(12-18)33-15-32-22/h6-9,11-13,21H,3-5,10,14-15H2,1-2H3,(H,27,30).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide is sourced from PubChem (CID 51069997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).