N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide

C27H35ClN4O6 — CID 3955628

IUPACN'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CC(C)(C)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C27H35ClN4O6/c1-27(2,17-24(34)32-11-9-31(10-12-32)20-8-6-7-19(28)15-20)16-23(33)29-30-26(35)18-13-21(36-3)25(38-5)22(14-18)37-4/h6-8,13-15H,9-12,16-17H2,1-5H3,(H,29,33)(H,30,35)
InChIKeyFXCLTOXUARQXRI-UHFFFAOYSA-N
MW547.05 g/mol
LogP3.28
Rot. Bonds9

About N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide

N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide (PubChem CID 3955628) has the molecular formula C27H35ClN4O6 and a molecular weight of 547.05 g/mol. Its IUPAC name is N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide
PubChem CID3955628
Molecular FormulaC27H35ClN4O6
Molecular Weight547.05 g/mol
Exact Mass546.22
IUPAC NameN'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)CC(C)(C)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC
InChIInChI=1S/C27H35ClN4O6/c1-27(2,17-24(34)32-11-9-31(10-12-32)20-8-6-7-19(28)15-20)16-23(33)29-30-26(35)18-13-21(36-3)25(38-5)22(14-18)37-4/h6-8,13-15H,9-12,16-17H2,1-5H3,(H,29,33)(H,30,35)
InChIKeyFXCLTOXUARQXRI-UHFFFAOYSA-N
XLogP3.28
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.05
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide 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

3,4,5-trimethoxy-N'-[2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetyl]benzohydrazide
CID 3971478
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 2683207
3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 46601420
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
N,N-diethyl-3,3-dimethyl-5-oxo-5-[2-(3,4,5-trimethoxybenzoyl)hydrazinyl]pentanamide
CID 3955560
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203423
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892
[4-(3-chlorophenyl)piperazin-1-yl]-(3-methoxy-4-propoxyphenyl)methanone
CID 9146603
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methoxy-N,5-dimethylbenzenesulfonamide
CID 2304415
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 1116272
1-[4-(3-chlorophenyl)piperazin-1-yl]-4-(2-methoxyphenyl)butane-1,4-dione
CID 121448945

Frequently Asked Questions

What is the IUPAC name of N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide?
The IUPAC name of N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide (CID 3955628) is N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide.
What is the SMILES notation for N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide?
The canonical SMILES for N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide is COc1cc(C(=O)NNC(=O)CC(C)(C)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC.
What is the InChIKey of N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide?
The InChIKey is FXCLTOXUARQXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O6/c1-27(2,17-24(34)32-11-9-31(10-12-32)20-8-6-7-19(28)15-20)16-23(33)29-30-26(35)18-13-21(36-3)25(38-5)22(14-18)37-4/h6-8,13-15H,9-12,16-17H2,1-5H3,(H,29,33)(H,30,35).
What are the key properties of N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide?
N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide has a molecular weight of 547.05 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[4-(3-chlorophenyl)piperazin-1-yl]-3,3-dimethyl-5-oxopentanoyl]-3,4,5-trimethoxybenzohydrazide is sourced from PubChem (CID 3955628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).