N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide

C22H24N2O3 — CID 154587112

IUPACN-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
SMILESC=CC(=O)N1CCC(Oc2cccc(-c3ccc(NC(C)=O)cc3)c2)CC1
InChIInChI=1S/C22H24N2O3/c1-3-22(26)24-13-11-20(12-14-24)27-21-6-4-5-18(15-21)17-7-9-19(10-8-17)23-16(2)25/h3-10,15,20H,1,11-14H2,2H3,(H,23,25)
InChIKeyJGRTWPUPAARSCC-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.87
Rot. Bonds5

About N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide

N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide (PubChem CID 154587112) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
PubChem CID154587112
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
SMILESC=CC(=O)N1CCC(Oc2cccc(-c3ccc(NC(C)=O)cc3)c2)CC1
InChIInChI=1S/C22H24N2O3/c1-3-22(26)24-13-11-20(12-14-24)27-21-6-4-5-18(15-21)17-7-9-19(10-8-17)23-16(2)25/h3-10,15,20H,1,11-14H2,2H3,(H,23,25)
InChIKeyJGRTWPUPAARSCC-UHFFFAOYSA-N
XLogP3.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]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

N-[4-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 146733338
1-[3-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]propan-2-one
CID 158027048
1-[4-[3-(3-methylsulfonylphenyl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587113
N-[4-[4-(3-thiophen-2-ylphenoxy)piperidine-1-carbonyl]phenyl]acetamide
CID 24733655
1-[4-(3-hydroxy-5-phenylphenoxy)piperidin-1-yl]prop-2-en-1-one
CID 149110974
1-[4-[3-(4-methoxypyrimidin-5-yl)phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 154587199
N-[3-[2-[(E)-3-[4-[3-(2-cyanophenyl)-4-[(E)-3-[4-[3-(2-hydroxyphenyl)phenoxy]piperidin-1-yl]-3-oxoprop-1-enyl]phenoxy]piperidin-1-yl]-3-oxoprop-1-enyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide
CID 170242694
(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide
CID 144842995
4-[2-[(E)-3-[4-[3-(4-hydroxyphenyl)phenoxy]piperidin-1-yl]-3-oxoprop-1-enyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 154968476
N-[4-[1-(3,5-dinitrobenzoyl)piperidin-4-yl]oxyphenyl]acetamide;methane
CID 159792863
(E)-1-[4-[4-(3-fluorophenyl)phenoxy]piperidin-1-yl]-3-[4-fluoro-3-[4-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]prop-2-en-1-one
CID 155463554
(2E)-2-ethenyl-N-[3-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]penta-2,4-dienamide;molecular hydrogen
CID 144843031

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide (CID 154587112) is N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide is C=CC(=O)N1CCC(Oc2cccc(-c3ccc(NC(C)=O)cc3)c2)CC1.
What is the InChIKey of N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide?
The InChIKey is JGRTWPUPAARSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-22(26)24-13-11-20(12-14-24)27-21-6-4-5-18(15-21)17-7-9-19(10-8-17)23-16(2)25/h3-10,15,20H,1,11-14H2,2H3,(H,23,25).
What are the key properties of N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide?
N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide has a molecular weight of 364.45 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(1-prop-2-enoylpiperidin-4-yl)oxyphenyl]phenyl]acetamide is sourced from PubChem (CID 154587112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).