[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate

C24H26FN3O7 — CID 55459376

IUPAC[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESCOc1ccc(C(=O)NNC(=O)COC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C24H26FN3O7/c1-33-19-10-7-16(12-20(19)34-2)22(30)27-26-21(29)14-35-24(32)17-4-3-11-28(13-17)23(31)15-5-8-18(25)9-6-15/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyCSJDFYNYPMGFGA-UHFFFAOYSA-N
MW487.48 g/mol
LogP1.70
Rot. Bonds7

About [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate

[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate (PubChem CID 55459376) has the molecular formula C24H26FN3O7 and a molecular weight of 487.48 g/mol. Its IUPAC name is [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Name[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
PubChem CID55459376
Molecular FormulaC24H26FN3O7
Molecular Weight487.48 g/mol
Exact Mass487.18
IUPAC Name[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
SMILESCOc1ccc(C(=O)NNC(=O)COC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1OC
InChIInChI=1S/C24H26FN3O7/c1-33-19-10-7-16(12-20(19)34-2)22(30)27-26-21(29)14-35-24(32)17-4-3-11-28(13-17)23(31)15-5-8-18(25)9-6-15/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyCSJDFYNYPMGFGA-UHFFFAOYSA-N
XLogP1.70
TPSA123.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.48
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660896
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55459377
ethyl (3R)-1-(4-ethoxy-3-methoxybenzoyl)piperidine-3-carboxylate
CID 94014630
N'-(3-methoxy-4-propoxybenzoyl)-1-(4-methylbenzoyl)piperidine-3-carbohydrazide
CID 55624623
N-[[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]methyl]-4-fluorobenzamide
CID 24790363
(3S)-3-[[(4-ethoxy-3-methoxybenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9090523
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660883
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 55472289
(3,4-dimethoxyphenyl)-[1-(3-fluoro-4-methoxybenzoyl)piperidin-3-yl]methanone
CID 45188321
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
ethyl 1-[1-(4-fluorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 55345207
methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate
CID 119109496

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The IUPAC name of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate (CID 55459376) is [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate.
What is the SMILES notation for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The canonical SMILES for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate is COc1ccc(C(=O)NNC(=O)COC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1OC.
What is the InChIKey of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
The InChIKey is CSJDFYNYPMGFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O7/c1-33-19-10-7-16(12-20(19)34-2)22(30)27-26-21(29)14-35-24(32)17-4-3-11-28(13-17)23(31)15-5-8-18(25)9-6-15/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate?
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate has a molecular weight of 487.48 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate is sourced from PubChem (CID 55459376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).