1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide

C20H25Cl2N3O4 — CID 55343438

IUPAC1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H25Cl2N3O4/c21-15-5-6-17(16(22)12-15)29-11-1-2-18(26)23-24-19(27)13-7-9-25(10-8-13)20(28)14-3-4-14/h5-6,12-14H,1-4,7-11H2,(H,23,26)(H,24,27)
InChIKeyKIOLRVFXSQWICH-UHFFFAOYSA-N
MW442.34 g/mol
LogP2.95
Rot. Bonds7

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

1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide (PubChem CID 55343438) has the molecular formula C20H25Cl2N3O4 and a molecular weight of 442.34 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide
PubChem CID55343438
Molecular FormulaC20H25Cl2N3O4
Molecular Weight442.34 g/mol
Exact Mass441.12
IUPAC Name1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H25Cl2N3O4/c21-15-5-6-17(16(22)12-15)29-11-1-2-18(26)23-24-19(27)13-7-9-25(10-8-13)20(28)14-3-4-14/h5-6,12-14H,1-4,7-11H2,(H,23,26)(H,24,27)
InChIKeyKIOLRVFXSQWICH-UHFFFAOYSA-N
XLogP2.95
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N'-[2-(2,4-dichlorophenoxy)acetyl]piperidine-4-carbohydrazide
CID 17479123
1-N',5-N'-bis[4-(2,4-dichlorophenoxy)butanoyl]pentanedihydrazide
CID 3689924
N'-[4-(2,4-dichlorophenoxy)butanoyl]-1-(furan-3-carbonyl)piperidine-3-carbohydrazide
CID 43056968
1-[4-(2,4-dichlorophenoxy)butanoyl]-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55957727
N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
CID 38324971
N'-[2-(2-bromo-4-chlorophenoxy)acetyl]-4-(2,4-dichlorophenoxy)butanehydrazide
CID 5229244
1-N',5-N'-bis[2-(2,4-dichlorophenoxy)acetyl]pentanedihydrazide
CID 3363801
N'-[4-(4-chloro-2-methylphenoxy)butanoyl]-1-pyridin-3-ylsulfonylpiperidine-4-carbohydrazide
CID 30885852
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
4-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119644834
4-[3-(2,4-dichlorophenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673180
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide (CID 55343438) is 1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide is O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide?
The InChIKey is KIOLRVFXSQWICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O4/c21-15-5-6-17(16(22)12-15)29-11-1-2-18(26)23-24-19(27)13-7-9-25(10-8-13)20(28)14-3-4-14/h5-6,12-14H,1-4,7-11H2,(H,23,26)(H,24,27).
What are the key properties of 1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide?
1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide has a molecular weight of 442.34 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N'-[4-(2,4-dichlorophenoxy)butanoyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 55343438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).