methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate

C13H24N2O2 — CID 77075285

IUPACmethyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate
SMILESCCN(CC=C(C)C(=O)OC)C1CCNCC1
InChIInChI=1S/C13H24N2O2/c1-4-15(12-5-8-14-9-6-12)10-7-11(2)13(16)17-3/h7,12,14H,4-6,8-10H2,1-3H3
InChIKeyLGIIHQHKHDIHMJ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.18
Rot. Bonds5

About methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate

methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate (PubChem CID 77075285) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate.

Molecular Properties

Compound Namemethyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate
PubChem CID77075285
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate
SMILESCCN(CC=C(C)C(=O)OC)C1CCNCC1
InChIInChI=1S/C13H24N2O2/c1-4-15(12-5-8-14-9-6-12)10-7-11(2)13(16)17-3/h7,12,14H,4-6,8-10H2,1-3H3
InChIKeyLGIIHQHKHDIHMJ-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-methyl-4-[methyl(piperidin-4-yl)amino]but-2-enoate
CID 77075192
methyl 4-[cyclohexyl(ethyl)amino]-2-ethylbut-2-enoate
CID 77101295
methyl N-ethyl-N-piperidin-4-ylcarbamate;hydrochloride
CID 155407834
methyl 4-[cyclohexyl(methyl)amino]-2-methylbut-2-enoate
CID 77076301
N,N-diethyl-3-[ethyl(piperidin-4-yl)amino]-2-methoxypropanamide
CID 71043577
methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate
CID 165457622
[ethyl(piperidin-4-yl)amino]methanol
CID 176656456
ethyl 2-[ethyl(piperidin-4-yl)amino]acetate
CID 60805794
2-[ethyl(piperidin-4-yl)amino]ethanol;dihydrochloride
CID 56831592
methyl 4-[ethyl(propan-2-yl)amino]-2-methylbut-2-enoate
CID 77075953
methyl 3-[piperidin-4-yl(propyl)amino]propanoate
CID 60806658
2-[ethyl(piperidin-4-yl)amino]-N-propylacetamide
CID 60806113

Frequently Asked Questions

What is the IUPAC name of methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate?
The IUPAC name of methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate (CID 77075285) is methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate.
What is the SMILES notation for methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate?
The canonical SMILES for methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate is CCN(CC=C(C)C(=O)OC)C1CCNCC1.
What is the InChIKey of methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate?
The InChIKey is LGIIHQHKHDIHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-15(12-5-8-14-9-6-12)10-7-11(2)13(16)17-3/h7,12,14H,4-6,8-10H2,1-3H3.
What are the key properties of methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate?
methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate has a molecular weight of 240.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate is sourced from PubChem (CID 77075285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).