N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide

C21H23Cl2N3O5 — CID 43056968

IUPACN'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C21H23Cl2N3O5/c22-16-5-6-18(17(23)11-16)31-9-2-4-19(27)24-25-20(28)14-3-1-8-26(12-14)21(29)15-7-10-30-13-15/h5-7,10-11,13-14H,1-4,8-9,12H2,(H,24,27)(H,25,28)
InChIKeyAWPYCCCWICRDAL-UHFFFAOYSA-N
MW468.34 g/mol
LogP3.45
Rot. Bonds7

About N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide

N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide (PubChem CID 43056968) has the molecular formula C21H23Cl2N3O5 and a molecular weight of 468.34 g/mol. Its IUPAC name is N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide
PubChem CID43056968
Molecular FormulaC21H23Cl2N3O5
Molecular Weight468.34 g/mol
Exact Mass467.10
IUPAC NameN'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCCN(C(=O)c2ccoc2)C1
InChIInChI=1S/C21H23Cl2N3O5/c22-16-5-6-18(17(23)11-16)31-9-2-4-19(27)24-25-20(28)14-3-1-8-26(12-14)21(29)15-7-10-30-13-15/h5-7,10-11,13-14H,1-4,8-9,12H2,(H,24,27)(H,25,28)
InChIKeyAWPYCCCWICRDAL-UHFFFAOYSA-N
XLogP3.45
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-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

1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide
CID 55343438
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568216
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189
(4-chloro-2-methylphenyl) (3R)-1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 51870501
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
(4-bromo-2-chlorophenyl) 1-(furan-3-carbonyl)piperidine-3-carboxylate
CID 43054836
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
N-(6-chloro-1,3-benzothiazol-2-yl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 43054844
2-(2,5-dichlorophenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 24660712
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46451461
1-[4-(2,4-dichlorophenoxy)butanoylamino]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
CID 7470120

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide?
The IUPAC name of N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide (CID 43056968) is N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide?
The canonical SMILES for N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide is O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCCN(C(=O)c2ccoc2)C1.
What is the InChIKey of N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide?
The InChIKey is AWPYCCCWICRDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O5/c22-16-5-6-18(17(23)11-16)31-9-2-4-19(27)24-25-20(28)14-3-1-8-26(12-14)21(29)15-7-10-30-13-15/h5-7,10-11,13-14H,1-4,8-9,12H2,(H,24,27)(H,25,28).
What are the key properties of N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide?
N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide has a molecular weight of 468.34 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 43056968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).