(E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one

C15H18ClNO3 — CID 60528635

IUPAC(E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one
SMILESCOc1ccc(Cl)cc1/C=C/C(=O)N1CCC(O)CC1
InChIInChI=1S/C15H18ClNO3/c1-20-14-4-3-12(16)10-11(14)2-5-15(19)17-8-6-13(18)7-9-17/h2-5,10,13,18H,6-9H2,1H3/b5-2+
InChIKeyWMQINGUACWJBME-GORDUTHDSA-N
MW295.77 g/mol
LogP2.35
Rot. Bonds3

About (E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one

(E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one (PubChem CID 60528635) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is (E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one
PubChem CID60528635
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name(E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one
SMILESCOc1ccc(Cl)cc1/C=C/C(=O)N1CCC(O)CC1
InChIInChI=1S/C15H18ClNO3/c1-20-14-4-3-12(16)10-11(14)2-5-15(19)17-8-6-13(18)7-9-17/h2-5,10,13,18H,6-9H2,1H3/b5-2+
InChIKeyWMQINGUACWJBME-GORDUTHDSA-N
XLogP2.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-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

(E)-3-(5-chloro-2-methoxyphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 94589862
(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl chloride
CID 19317726
3-(5-chloro-2-methoxyphenyl)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 55911047
3-[1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidin-4-yl]-1H-indole-5-carboxamide
CID 75450677
N-(5-bromo-2-pyridinyl)-1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 98930954
(E)-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-(2-methoxy-5-methylphenyl)prop-2-en-1-one
CID 55551303
(E)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(2,5-dimethoxyphenyl)prop-2-en-1-one
CID 8839833
(E)-3-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 51058065
(E)-3-(5-bromo-2-methoxyphenyl)-1-[(3S)-3-hydroxypiperidin-1-yl]prop-2-en-1-one
CID 51682318
(E)-3-(5-bromo-2-methoxyphenyl)-1-(3-hydroxypiperidin-1-yl)prop-2-en-1-one
CID 43415734
1-[1-[3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]azetidin-3-yl]triazole-4-carboxamide
CID 126766298
1-[(E)-3-(5-chloro-2-methoxyphenyl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
CID 56819172

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one (CID 60528635) is (E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one is COc1ccc(Cl)cc1/C=C/C(=O)N1CCC(O)CC1.
What is the InChIKey of (E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one?
The InChIKey is WMQINGUACWJBME-GORDUTHDSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-20-14-4-3-12(16)10-11(14)2-5-15(19)17-8-6-13(18)7-9-17/h2-5,10,13,18H,6-9H2,1H3/b5-2+.
What are the key properties of (E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one?
(E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one has a molecular weight of 295.77 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-chloro-2-methoxyphenyl)-1-(4-hydroxypiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 60528635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).