(E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide

C11H20N4O2 — CID 163754749

IUPAC(E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide
SMILES[H]/N=C(C(=C\NC)/C(N)=O)\N1CCC(OC)CC1
InChIInChI=1S/C11H20N4O2/c1-14-7-9(11(13)16)10(12)15-5-3-8(17-2)4-6-15/h7-8,12,14H,3-6H2,1-2H3,(H2,13,16)/b9-7+,12-10-
InChIKeyLTBXXHRODLNGCP-IOIMVZBSSA-N
MW240.31 g/mol
LogP-0.34
Rot. Bonds4

About (E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide

(E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide (PubChem CID 163754749) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is (E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide
PubChem CID163754749
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name(E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide
SMILES[H]/N=C(C(=C\NC)/C(N)=O)\N1CCC(OC)CC1
InChIInChI=1S/C11H20N4O2/c1-14-7-9(11(13)16)10(12)15-5-3-8(17-2)4-6-15/h7-8,12,14H,3-6H2,1-2H3,(H2,13,16)/b9-7+,12-10-
InChIKeyLTBXXHRODLNGCP-IOIMVZBSSA-N
XLogP-0.34
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide?
The IUPAC name of (E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide (CID 163754749) is (E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide.
What is the SMILES notation for (E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide?
The canonical SMILES for (E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide is [H]/N=C(C(=C\NC)/C(N)=O)\N1CCC(OC)CC1.
What is the InChIKey of (E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide?
The InChIKey is LTBXXHRODLNGCP-IOIMVZBSSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-14-7-9(11(13)16)10(12)15-5-3-8(17-2)4-6-15/h7-8,12,14H,3-6H2,1-2H3,(H2,13,16)/b9-7+,12-10-.
What are the key properties of (E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide?
(E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide has a molecular weight of 240.31 g/mol, XLogP of -0.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methoxypiperidine-1-carboximidoyl)-3-(methylamino)prop-2-enamide is sourced from PubChem (CID 163754749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).