(Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid

C11H15NO5 — CID 175312259

IUPAC(Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid
SMILESCN1CCC(C(=O)OC(=O)/C=C\C(=O)O)CC1
InChIInChI=1S/C11H15NO5/c1-12-6-4-8(5-7-12)11(16)17-10(15)3-2-9(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2-
InChIKeyVAJQLMWMRDCMHM-IHWYPQMZSA-N
MW241.24 g/mol
LogP0.04
Rot. Bonds3

About (Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid

(Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid (PubChem CID 175312259) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid
PubChem CID175312259
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid
SMILESCN1CCC(C(=O)OC(=O)/C=C\C(=O)O)CC1
InChIInChI=1S/C11H15NO5/c1-12-6-4-8(5-7-12)11(16)17-10(15)3-2-9(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2-
InChIKeyVAJQLMWMRDCMHM-IHWYPQMZSA-N
XLogP0.04
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid 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

amino 1-methylpiperidine-4-carboxylate
CID 18698219
1-methylpiperidine-4-carboxylic acid;hydrate
CID 69434793
2-hydroxypropan-2-yl 1-methylpiperidine-4-carboxylate
CID 174993890
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
tert-butyl 1-methylpiperidine-4-carboxylate;carbon dioxide
CID 161073705
methyl 1-(1-methylpiperidin-4-yl)piperidine-4-carboxylate
CID 145006373
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
(Z)-4-acetyloxy-4-oxobut-2-enoic acid;prop-2-enoic acid
CID 157496128
(Z)-3-(1-methylpyrrolidin-3-yl)prop-2-enoic acid
CID 117266106
ethane;1-methylpiperidine-4-carbothioic S-acid
CID 142071667
4-oxo-4-piperidin-1-yloxybut-2-enoic acid
CID 54120828
1-methylpiperidine-4-carbonyl chloride;1-methylpiperidine-4-carboxylic acid;dihydrochloride
CID 159086943

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid (CID 175312259) is (Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid is CN1CCC(C(=O)OC(=O)/C=C\C(=O)O)CC1.
What is the InChIKey of (Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid?
The InChIKey is VAJQLMWMRDCMHM-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H15NO5/c1-12-6-4-8(5-7-12)11(16)17-10(15)3-2-9(13)14/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2-.
What are the key properties of (Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid?
(Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid has a molecular weight of 241.24 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-methylpiperidine-4-carbonyl)oxy-4-oxobut-2-enoic acid is sourced from PubChem (CID 175312259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).