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

C17H23NO2 — CID 102603213

IUPAC3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
SMILESCCOc1ccccc1C=CC(=O)N1CCCC(C)C1
InChIInChI=1S/C17H23NO2/c1-3-20-16-9-5-4-8-15(16)10-11-17(19)18-12-6-7-14(2)13-18/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKeyNVCSLHFCWYBAEF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.36
Rot. Bonds4

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

3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 102603213) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
PubChem CID102603213
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
SMILESCCOc1ccccc1C=CC(=O)N1CCCC(C)C1
InChIInChI=1S/C17H23NO2/c1-3-20-16-9-5-4-8-15(16)10-11-17(19)18-12-6-7-14(2)13-18/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
InChIKeyNVCSLHFCWYBAEF-UHFFFAOYSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]-N-phenylpiperidine-3-carboxamide
CID 42925478
(E)-3-(2-ethoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115966340
(E)-3-(2-chlorophenyl)-1-[(3S)-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 880034
3-(2-chlorophenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 2891510
(E)-3-(2-ethoxyphenyl)-1-(3-hydroxy-3-methylpiperidin-1-yl)prop-2-en-1-one
CID 115874518
ethyl 1-[(E)-3-[2-(difluoromethoxy)phenyl]prop-2-enoyl]piperidine-3-carboxylate
CID 55527912
1-(4-amino-2-methylpiperidin-1-yl)-3-(2-ethoxyphenyl)prop-2-en-1-one
CID 126779856
(2Z,4E)-1-(3-methylpiperidin-1-yl)-5-phenylpenta-2,4-dien-1-one
CID 24842724
1-[3-(2-ethoxyphenyl)prop-2-enoyl]-1,4-diazepan-5-one
CID 76931953
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of 3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one (CID 102603213) is 3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one is CCOc1ccccc1C=CC(=O)N1CCCC(C)C1.
What is the InChIKey of 3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is NVCSLHFCWYBAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-20-16-9-5-4-8-15(16)10-11-17(19)18-12-6-7-14(2)13-18/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one?
3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 273.38 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-1-(3-methylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 102603213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).