1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide

C21H33N3O3 — CID 54855365

IUPAC1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)N2CCC(C(=O)NN)CC2)c1
InChIInChI=1S/C21H33N3O3/c1-15-6-7-16(2)18(14-15)27-13-5-10-21(3,4)20(26)24-11-8-17(9-12-24)19(25)23-22/h6-7,14,17H,5,8-13,22H2,1-4H3,(H,23,25)
InChIKeyPFJOMSXPMGINHB-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.72
Rot. Bonds7

About 1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide

1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide (PubChem CID 54855365) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide
PubChem CID54855365
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide
SMILESCc1ccc(C)c(OCCCC(C)(C)C(=O)N2CCC(C(=O)NN)CC2)c1
InChIInChI=1S/C21H33N3O3/c1-15-6-7-16(2)18(14-15)27-13-5-10-21(3,4)20(26)24-11-8-17(9-12-24)19(25)23-22/h6-7,14,17H,5,8-13,22H2,1-4H3,(H,23,25)
InChIKeyPFJOMSXPMGINHB-UHFFFAOYSA-N
XLogP2.72
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide 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

5-(2,5-dimethylphenoxy)-1-[4-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperazin-1-yl]-2,2-dimethylpentan-1-one
CID 54784533
5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-morpholin-4-ylpentan-1-one
CID 54783497
5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 175467291
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(pyrrolidine-1-carbothioyl)pentanamide
CID 54783992
5-(2,5-dimethylphenoxy)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2,2-dimethylpentan-1-one
CID 175467251
5-(2,5-dimethylphenoxy)-2,2-dimethyl-1-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pentan-1-one
CID 175467274
sodium;5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid;hydride
CID 173009199
pent-4-ynyl 5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoate
CID 176607282
5-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpentanamide
CID 54783886
1-[3-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 45426975
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-propylpentanamide
CID 54783506
5-(2,5-dimethylphenoxy)-2,2-dimethyl-N-(4-methylphenyl)pentanamide
CID 54783593

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide (CID 54855365) is 1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide is Cc1ccc(C)c(OCCCC(C)(C)C(=O)N2CCC(C(=O)NN)CC2)c1.
What is the InChIKey of 1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide?
The InChIKey is PFJOMSXPMGINHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-15-6-7-16(2)18(14-15)27-13-5-10-21(3,4)20(26)24-11-8-17(9-12-24)19(25)23-22/h6-7,14,17H,5,8-13,22H2,1-4H3,(H,23,25).
What are the key properties of 1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide?
1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide has a molecular weight of 375.51 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 54855365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).