N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C24H24N4O5S — CID 55633654

IUPACN-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H24N4O5S/c1-16-7-8-18(13-21(16)28(31)32)20-15-34-24(25-20)26-23(30)17-9-11-27(12-10-17)22(29)14-33-19-5-3-2-4-6-19/h2-8,13,15,17H,9-12,14H2,1H3,(H,25,26,30)
InChIKeyXZWSDWCIWXUODW-UHFFFAOYSA-N
MW480.55 g/mol
LogP4.28
Rot. Bonds7

About N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 55633654) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID55633654
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC NameN-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)n2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H24N4O5S/c1-16-7-8-18(13-21(16)28(31)32)20-15-34-24(25-20)26-23(30)17-9-11-27(12-10-17)22(29)14-33-19-5-3-2-4-6-19/h2-8,13,15,17H,9-12,14H2,1H3,(H,25,26,30)
InChIKeyXZWSDWCIWXUODW-UHFFFAOYSA-N
XLogP4.28
TPSA114.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-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

N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55633682
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 55469440
1-(2-phenoxyacetyl)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55630273
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 39011385
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409422
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409351
1-acetyl-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17453393
1-(3-phenoxypropanoyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55856174
2-cyclopentyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 71943790
N-(2-nitro-4,5-dipropoxyphenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55632889
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
3,3-dimethyl-N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]butanamide
CID 134041757

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 55633654) is N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is Cc1ccc(-c2csc(NC(=O)C3CCN(C(=O)COc4ccccc4)CC3)n2)cc1[N+](=O)[O-].
What is the InChIKey of N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is XZWSDWCIWXUODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c1-16-7-8-18(13-21(16)28(31)32)20-15-34-24(25-20)26-23(30)17-9-11-27(12-10-17)22(29)14-33-19-5-3-2-4-6-19/h2-8,13,15,17H,9-12,14H2,1H3,(H,25,26,30).
What are the key properties of N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 55633654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).