1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one

C17H24N2O2 — CID 126779856

IUPAC1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccccc1C=CC(=O)N1CCC(N)CC1C
InChIInChI=1S/C17H24N2O2/c1-3-21-16-7-5-4-6-14(16)8-9-17(20)19-11-10-15(18)12-13(19)2/h4-9,13,15H,3,10-12,18H2,1-2H3
InChIKeyJKYDNYLVBPHHJV-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.44
Rot. Bonds4

About 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one

1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one (PubChem CID 126779856) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one
PubChem CID126779856
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one
SMILESCCOc1ccccc1C=CC(=O)N1CCC(N)CC1C
InChIInChI=1S/C17H24N2O2/c1-3-21-16-7-5-4-6-14(16)8-9-17(20)19-11-10-15(18)12-13(19)2/h4-9,13,15H,3,10-12,18H2,1-2H3
InChIKeyJKYDNYLVBPHHJV-UHFFFAOYSA-N
XLogP2.44
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 102603213
4-[3-(2-ethoxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126784174
1-(4-amino-2-methylpiperidin-1-yl)-3-(1-benzofuran-2-yl)prop-2-en-1-one
CID 126786591
(E)-3-(2-ethoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115966340
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-1-one
CID 124689317
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-fluorophenoxy)propan-1-one
CID 122149049
(E)-1-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-(2-methoxyphenyl)prop-2-en-1-one
CID 102737761
bicyclo[2.2.1]hept-2-ene;3-(2-ethoxyphenyl)prop-2-enoic acid
CID 68745191
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
(E)-N-cyclopentyloxy-3-(2-ethoxyphenyl)prop-2-enamide
CID 83203007

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one (CID 126779856) is 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one is CCOc1ccccc1C=CC(=O)N1CCC(N)CC1C.
What is the InChIKey of 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one?
The InChIKey is JKYDNYLVBPHHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-21-16-7-5-4-6-14(16)8-9-17(20)19-11-10-15(18)12-13(19)2/h4-9,13,15H,3,10-12,18H2,1-2H3.
What are the key properties of 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one?
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one has a molecular weight of 288.39 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 126779856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).