2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide

C23H28N2O2S — CID 42939544

IUPAC2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O2S/c1-2-16-28-21-11-7-6-10-20(21)24-22(26)17-25-14-12-19(13-15-25)23(27)18-8-4-3-5-9-18/h2-11,19,23,27H,1,12-17H2,(H,24,26)
InChIKeyRJEWHSNDTXHRCV-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.35
Rot. Bonds8

About 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide

2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide (PubChem CID 42939544) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
PubChem CID42939544
Molecular FormulaC23H28N2O2S
Molecular Weight396.56 g/mol
Exact Mass396.19
IUPAC Name2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
SMILESC=CCSc1ccccc1NC(=O)CN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C23H28N2O2S/c1-2-16-28-21-11-7-6-10-20(21)24-22(26)17-25-14-12-19(13-15-25)23(27)18-8-4-3-5-9-18/h2-11,19,23,27H,1,12-17H2,(H,24,26)
InChIKeyRJEWHSNDTXHRCV-UHFFFAOYSA-N
XLogP4.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide 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

2-(4-cyclopropylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 60595733
2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 86928063
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 111543814
2-[4-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperazin-1-yl]-N-propylacetamide
CID 18088532
2-[4-(2-phenylethyl)piperazin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 18125341
N-(2,3-dimethylphenyl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 134038789
N-(5-chloro-2-pyridinyl)-1-[2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl]piperidine-4-carboxamide
CID 55816126
2-(3-cyclopropyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 39965678
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-methyl-3-nitrophenyl)acetamide
CID 55519862
N-(3-fluorophenyl)-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 33350694
2-amino-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 14995592
N-butyl-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]acetamide
CID 110883979

Frequently Asked Questions

What is the IUPAC name of 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The IUPAC name of 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide (CID 42939544) is 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide is C=CCSc1ccccc1NC(=O)CN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide?
The InChIKey is RJEWHSNDTXHRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-2-16-28-21-11-7-6-10-20(21)24-22(26)17-25-14-12-19(13-15-25)23(27)18-8-4-3-5-9-18/h2-11,19,23,27H,1,12-17H2,(H,24,26).
What are the key properties of 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide?
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide has a molecular weight of 396.56 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2-prop-2-enylsulfanylphenyl)acetamide is sourced from PubChem (CID 42939544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).