3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide

C18H25N3O5 — CID 4280976

IUPAC3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)C(=O)N2CCCCC2)cc1OCC
InChIInChI=1S/C18H25N3O5/c1-3-25-14-9-8-13(12-15(14)26-4-2)16(22)19-20-17(23)18(24)21-10-6-5-7-11-21/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyMFCKFPIVIZNMQB-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.26
Rot. Bonds5

About 3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide

3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide (PubChem CID 4280976) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide.

Molecular Properties

Compound Name3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
PubChem CID4280976
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide
SMILESCCOc1ccc(C(=O)NNC(=O)C(=O)N2CCCCC2)cc1OCC
InChIInChI=1S/C18H25N3O5/c1-3-25-14-9-8-13(12-15(14)26-4-2)16(22)19-20-17(23)18(24)21-10-6-5-7-11-21/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyMFCKFPIVIZNMQB-UHFFFAOYSA-N
XLogP1.26
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclohexanecarbonyl)-3,4-diethoxybenzohydrazide
CID 912683
N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2-piperidin-1-ylacetamide
CID 108517275
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604
(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9090523
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
3-chloro-4-ethoxy-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 100774361
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354
3,4,5-triethoxy-N'-(3-ethoxy-4-methoxybenzoyl)benzohydrazide
CID 24537475
N-[(3-ethoxy-4-propoxyphenyl)methylideneamino]-2-oxo-2-piperidin-1-ylacetamide
CID 3099208
N'-(4-ethoxy-3-methoxybenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407957

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
The IUPAC name of 3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide (CID 4280976) is 3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide.
What is the SMILES notation for 3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
The canonical SMILES for 3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide is CCOc1ccc(C(=O)NNC(=O)C(=O)N2CCCCC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
The InChIKey is MFCKFPIVIZNMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-3-25-14-9-8-13(12-15(14)26-4-2)16(22)19-20-17(23)18(24)21-10-6-5-7-11-21/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide?
3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide has a molecular weight of 363.41 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N'-(2-oxo-2-piperidin-1-ylacetyl)benzohydrazide is sourced from PubChem (CID 4280976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).