methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate

C15H28N2O2 — CID 103245857

IUPACmethyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate
SMILESCC/C(=C/CNCC1CCN(CC)CC1)C(=O)OC
InChIInChI=1S/C15H28N2O2/c1-4-14(15(18)19-3)6-9-16-12-13-7-10-17(5-2)11-8-13/h6,13,16H,4-5,7-12H2,1-3H3/b14-6-
InChIKeyNYZWOMDHIGBSFT-NSIKDUERSA-N
MW268.40 g/mol
LogP1.82
Rot. Bonds7

About methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate

methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate (PubChem CID 103245857) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate
PubChem CID103245857
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate
SMILESCC/C(=C/CNCC1CCN(CC)CC1)C(=O)OC
InChIInChI=1S/C15H28N2O2/c1-4-14(15(18)19-3)6-9-16-12-13-7-10-17(5-2)11-8-13/h6,13,16H,4-5,7-12H2,1-3H3/b14-6-
InChIKeyNYZWOMDHIGBSFT-NSIKDUERSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate?
The IUPAC name of methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate (CID 103245857) is methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate?
The canonical SMILES for methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate is CC/C(=C/CNCC1CCN(CC)CC1)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate?
The InChIKey is NYZWOMDHIGBSFT-NSIKDUERSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-14(15(18)19-3)6-9-16-12-13-7-10-17(5-2)11-8-13/h6,13,16H,4-5,7-12H2,1-3H3/b14-6-.
What are the key properties of methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate?
methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate has a molecular weight of 268.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethyl-4-[(1-ethylpiperidin-4-yl)methylamino]but-2-enoate is sourced from PubChem (CID 103245857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).