methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate

C14H24N2O3 — CID 103196632

IUPACmethyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate
SMILESCCC(=CCN1CCCC(C(=O)NC)C1)C(=O)OC
InChIInChI=1S/C14H24N2O3/c1-4-11(14(18)19-3)7-9-16-8-5-6-12(10-16)13(17)15-2/h7,12H,4-6,8-10H2,1-3H3,(H,15,17)
InChIKeyRYZRBAMSDRUWQM-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.95
Rot. Bonds5

About methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate

methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate (PubChem CID 103196632) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate
PubChem CID103196632
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Namemethyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate
SMILESCCC(=CCN1CCCC(C(=O)NC)C1)C(=O)OC
InChIInChI=1S/C14H24N2O3/c1-4-11(14(18)19-3)7-9-16-8-5-6-12(10-16)13(17)15-2/h7,12H,4-6,8-10H2,1-3H3,(H,15,17)
InChIKeyRYZRBAMSDRUWQM-UHFFFAOYSA-N
XLogP0.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.95
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 (E)-4-[(1-acetylpiperidine-3-carbonyl)amino]but-2-enoate
CID 118667824
methyl (E)-4-[(1-methylpiperidine-3-carbonyl)amino]but-2-enoate
CID 118667850
methyl (E)-4-[[(3S)-1-[(2E,4Z)-2-methylhexa-2,4-dienoyl]piperidine-3-carbonyl]amino]but-2-enoate
CID 155371268
methyl (E)-5-[[(3S)-1-[(2E,4Z)-2-ethenylhexa-2,4-dienoyl]piperidine-3-carbonyl]amino]pent-2-enoate
CID 155371296
methyl (E)-4-[[(3S)-1-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]piperidine-3-carbonyl]amino]but-2-enoate
CID 156560317
methyl (E)-5-[[(3S)-1-[(2E,4Z)-2-methylhepta-2,4,6-trienoyl]piperidine-3-carbonyl]amino]pent-2-enoate
CID 156560514
N-(2-aminoethyl)-1-(6-oxopyran-3-carbonyl)piperidine-3-carboxamide
CID 63252476
Methyl 4-(3-carbamoylpiperidin-1-yl)-2-methylbut-2-enoate
CID 77074719
Methyl 2-ethyl-4-[ethyl(piperidin-4-yl)amino]but-2-enoate
CID 77100763
Methyl 4-[4-(2-amino-2-oxoethyl)piperidin-1-yl]-2-ethylbut-2-enoate
CID 77100773
Methyl 2-ethyl-4-[3-(methylaminomethyl)piperidin-1-yl]but-2-enoate
CID 77100874
Methyl 4-(4-carbamoylpiperidin-1-yl)-2-ethylbut-2-enoate
CID 77101185

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate (CID 103196632) is methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate is CCC(=CCN1CCCC(C(=O)NC)C1)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate?
The InChIKey is RYZRBAMSDRUWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-4-11(14(18)19-3)7-9-16-8-5-6-12(10-16)13(17)15-2/h7,12H,4-6,8-10H2,1-3H3,(H,15,17).
What are the key properties of methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate?
methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate has a molecular weight of 268.36 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]but-2-enoate is sourced from PubChem (CID 103196632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).