(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide

C17H25N3O — CID 115342926

IUPAC(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide
SMILESCCN1CCC(N(C)C(=O)/C=C/c2cccc(N)c2)CC1
InChIInChI=1S/C17H25N3O/c1-3-20-11-9-16(10-12-20)19(2)17(21)8-7-14-5-4-6-15(18)13-14/h4-8,13,16H,3,9-12,18H2,1-2H3/b8-7+
InChIKeyMEQASUJMCIRXKY-BQYQJAHWSA-N
MW287.41 g/mol
LogP2.22
Rot. Bonds4

About (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide

(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide (PubChem CID 115342926) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide
PubChem CID115342926
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide
SMILESCCN1CCC(N(C)C(=O)/C=C/c2cccc(N)c2)CC1
InChIInChI=1S/C17H25N3O/c1-3-20-11-9-16(10-12-20)19(2)17(21)8-7-14-5-4-6-15(18)13-14/h4-8,13,16H,3,9-12,18H2,1-2H3/b8-7+
InChIKeyMEQASUJMCIRXKY-BQYQJAHWSA-N
XLogP2.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide (CID 115342926) is (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide is CCN1CCC(N(C)C(=O)/C=C/c2cccc(N)c2)CC1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide?
The InChIKey is MEQASUJMCIRXKY-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-20-11-9-16(10-12-20)19(2)17(21)8-7-14-5-4-6-15(18)13-14/h4-8,13,16H,3,9-12,18H2,1-2H3/b8-7+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide?
(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide has a molecular weight of 287.41 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 115342926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).