1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone

C24H24ClNO2 — CID 142509071

IUPAC1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone
SMILESCC1(C)CN(CC(=O)c2cccc(Cl)c2)CC/C1=C\C#Cc1cccc(O)c1
InChIInChI=1S/C24H24ClNO2/c1-24(2)17-26(16-23(28)19-8-5-10-21(25)15-19)13-12-20(24)9-3-6-18-7-4-11-22(27)14-18/h4-5,7-11,14-15,27H,12-13,16-17H2,1-2H3/b20-9+
InChIKeyMVNGNILVHUVVKP-AWQFTUOYSA-N
MW393.91 g/mol
LogP4.94
Rot. Bonds3

About 1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone

1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone (PubChem CID 142509071) has the molecular formula C24H24ClNO2 and a molecular weight of 393.91 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone
PubChem CID142509071
Molecular FormulaC24H24ClNO2
Molecular Weight393.91 g/mol
Exact Mass393.15
IUPAC Name1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone
SMILESCC1(C)CN(CC(=O)c2cccc(Cl)c2)CC/C1=C\C#Cc1cccc(O)c1
InChIInChI=1S/C24H24ClNO2/c1-24(2)17-26(16-23(28)19-8-5-10-21(25)15-19)13-12-20(24)9-3-6-18-7-4-11-22(27)14-18/h4-5,7-11,14-15,27H,12-13,16-17H2,1-2H3/b20-9+
InChIKeyMVNGNILVHUVVKP-AWQFTUOYSA-N
XLogP4.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.91
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone 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

(3-chlorophenyl)-[(4E)-3,3-dimethyl-4-[3-(3-methylphenyl)prop-2-ynylidene]piperidin-1-yl]methanone
CID 137371969
(3-chlorophenyl)-[(3E)-3-[3-(3-chlorophenyl)prop-2-ynylidene]-2,2-dimethylpyrrolidin-1-yl]methanone
CID 137386221
(4E)-4-[3-(3-fluorophenyl)prop-2-ynylidene]-3,3-dimethylpiperidine-1-carboxylic acid
CID 137371958
[(4E)-4-[3-(3-chlorophenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]-(1,5-dimethyltriazol-4-yl)methanone
CID 137371987
1-(3-chlorophenyl)-2-morpholin-4-ylethanone
CID 43227690
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
1-(3-chlorophenyl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62973972
1-(3-chlorophenyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 114777497
1-(3-chlorophenyl)-2-(2-ethylmorpholin-4-yl)ethanone
CID 43796611
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(3-chlorophenyl)ethanone
CID 115560604
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626373
1-(3-chlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886120

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone (CID 142509071) is 1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone is CC1(C)CN(CC(=O)c2cccc(Cl)c2)CC/C1=C\C#Cc1cccc(O)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone?
The InChIKey is MVNGNILVHUVVKP-AWQFTUOYSA-N. The full InChI is InChI=1S/C24H24ClNO2/c1-24(2)17-26(16-23(28)19-8-5-10-21(25)15-19)13-12-20(24)9-3-6-18-7-4-11-22(27)14-18/h4-5,7-11,14-15,27H,12-13,16-17H2,1-2H3/b20-9+.
What are the key properties of 1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone?
1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone has a molecular weight of 393.91 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[(4E)-4-[3-(3-hydroxyphenyl)prop-2-ynylidene]-3,3-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 142509071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).