methyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate

C15H28N2O2 — CID 103246513

IUPACmethyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate
SMILESCCC(=CCNCC(C)N1CCCCC1)C(=O)OC
InChIInChI=1S/C15H28N2O2/c1-4-14(15(18)19-3)8-9-16-12-13(2)17-10-6-5-7-11-17/h8,13,16H,4-7,9-12H2,1-3H3
InChIKeyMAVBSZNYGPARKO-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.96
Rot. Bonds7

About methyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate

methyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate (PubChem CID 103246513) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is methyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate.

Molecular Properties

Compound Namemethyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate
PubChem CID103246513
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Namemethyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate
SMILESCCC(=CCNCC(C)N1CCCCC1)C(=O)OC
InChIInChI=1S/C15H28N2O2/c1-4-14(15(18)19-3)8-9-16-12-13(2)17-10-6-5-7-11-17/h8,13,16H,4-7,9-12H2,1-3H3
InChIKeyMAVBSZNYGPARKO-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
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 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate?
The IUPAC name of methyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate (CID 103246513) is methyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate.
What is the SMILES notation for methyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate?
The canonical SMILES for methyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate is CCC(=CCNCC(C)N1CCCCC1)C(=O)OC.
What is the InChIKey of methyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate?
The InChIKey is MAVBSZNYGPARKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-14(15(18)19-3)8-9-16-12-13(2)17-10-6-5-7-11-17/h8,13,16H,4-7,9-12H2,1-3H3.
What are the key properties of methyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate?
methyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate has a molecular weight of 268.40 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethyl-4-(2-piperidin-1-ylpropylamino)but-2-enoate is sourced from PubChem (CID 103246513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).