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

C16H23N3O — CID 115343588

IUPAC(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide
SMILESCCN1CCCC(NC(=O)/C=C/c2cccc(N)c2)C1
InChIInChI=1S/C16H23N3O/c1-2-19-10-4-7-15(12-19)18-16(20)9-8-13-5-3-6-14(17)11-13/h3,5-6,8-9,11,15H,2,4,7,10,12,17H2,1H3,(H,18,20)/b9-8+
InChIKeyJBJJKOGFXPHNCX-CMDGGOBGSA-N
MW273.38 g/mol
LogP1.88
Rot. Bonds4

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

(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide (PubChem CID 115343588) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide
PubChem CID115343588
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide
SMILESCCN1CCCC(NC(=O)/C=C/c2cccc(N)c2)C1
InChIInChI=1S/C16H23N3O/c1-2-19-10-4-7-15(12-19)18-16(20)9-8-13-5-3-6-14(17)11-13/h3,5-6,8-9,11,15H,2,4,7,10,12,17H2,1H3,(H,18,20)/b9-8+
InChIKeyJBJJKOGFXPHNCX-CMDGGOBGSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
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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Related Compounds

(E)-3-(3-aminophenyl)-N-(3,3-dimethylcyclohexyl)prop-2-enamide
CID 115344818
2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
CID 106591180
(E)-3-(3-aminophenyl)-N-(3,5-dimethylcyclohexyl)prop-2-enamide
CID 115344331
(E)-3-(3-aminophenyl)-N-(2-methylcyclohexyl)prop-2-enamide
CID 115342655
(E)-3-(3-aminophenyl)-1-(4-ethylpiperazin-1-yl)prop-2-en-1-one
CID 39360436
(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-4-yl)-N-methylprop-2-enamide
CID 115342926
(E)-3-(3-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)prop-2-en-1-one
CID 113290869
5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
(E)-3-(3-aminophenyl)-N-(3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 115342775
(E)-3-(3-aminophenyl)-N-ethylprop-2-enamide
CID 39238221
(E)-3-(3-aminophenyl)-1-(4-ethylpiperidin-1-yl)prop-2-en-1-one
CID 115343373
(E)-3-[3-[1-(1-ethylpiperidin-3-yl)benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10068980

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide (CID 115343588) is (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide is CCN1CCCC(NC(=O)/C=C/c2cccc(N)c2)C1.
What is the InChIKey of (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide?
The InChIKey is JBJJKOGFXPHNCX-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-19-10-4-7-15(12-19)18-16(20)9-8-13-5-3-6-14(17)11-13/h3,5-6,8-9,11,15H,2,4,7,10,12,17H2,1H3,(H,18,20)/b9-8+.
What are the key properties of (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide?
(E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide has a molecular weight of 273.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)prop-2-enamide is sourced from PubChem (CID 115343588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).