methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate

C15H19N3O4 — CID 87588129

IUPACmethyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate
SMILESCOC(=O)c1ccc(OC)c(N/N=C2/CCCN(C)C2=O)c1
InChIInChI=1S/C15H19N3O4/c1-18-8-4-5-11(14(18)19)16-17-12-9-10(15(20)22-3)6-7-13(12)21-2/h6-7,9,17H,4-5,8H2,1-3H3/b16-11-
InChIKeyQQRXTKRNACQOAE-WJDWOHSUSA-N
MW305.33 g/mol
LogP1.50
Rot. Bonds4

About methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate

methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate (PubChem CID 87588129) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate
PubChem CID87588129
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Namemethyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate
SMILESCOC(=O)c1ccc(OC)c(N/N=C2/CCCN(C)C2=O)c1
InChIInChI=1S/C15H19N3O4/c1-18-8-4-5-11(14(18)19)16-17-12-9-10(15(20)22-3)6-7-13(12)21-2/h6-7,9,17H,4-5,8H2,1-3H3/b16-11-
InChIKeyQQRXTKRNACQOAE-WJDWOHSUSA-N
XLogP1.50
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(cyclopropyliminomethylamino)-4-methoxybenzoate
CID 54333094
methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate
CID 53419638
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
methyl 3-(methanesulfonamido)-4-methoxybenzoate
CID 5303011
methyl 4-methoxy-3-(2-methoxyethoxy)benzoate
CID 66876699
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
methyl 3-[[(2R)-2-butyl-4-methyl-3-oxopiperazine-1-carbonyl]amino]-4-methoxybenzoate
CID 97436839
ethane;methanol;methyl 4-methoxy-3-[2-(4-methylpiperazin-1-yl)ethylamino]benzoate;prop-1-yn-1-ol
CID 144638768
methyl 3-[2-[(3R)-3-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]-4-methoxybenzoate
CID 125163717
methyl 3-[2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]ethylcarbamoylamino]-4-methoxybenzoate
CID 125163719
ethyl 4-[(2-methoxy-5-methoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 118792659
methyl 3-[(4-tert-butylphenyl)sulfonylamino]-4-methoxybenzoate
CID 3798192

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate?
The IUPAC name of methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate (CID 87588129) is methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate.
What is the SMILES notation for methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate?
The canonical SMILES for methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate is COC(=O)c1ccc(OC)c(N/N=C2/CCCN(C)C2=O)c1.
What is the InChIKey of methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate?
The InChIKey is QQRXTKRNACQOAE-WJDWOHSUSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-18-8-4-5-11(14(18)19)16-17-12-9-10(15(20)22-3)6-7-13(12)21-2/h6-7,9,17H,4-5,8H2,1-3H3/b16-11-.
What are the key properties of methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate?
methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate has a molecular weight of 305.33 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-[(2Z)-2-(1-methyl-2-oxopiperidin-3-ylidene)hydrazinyl]benzoate is sourced from PubChem (CID 87588129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).