(E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide

C22H25ClN2O2 — CID 99970865

IUPAC(E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide
SMILESCN1CCC(Oc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C22H25ClN2O2/c1-25-14-12-21(13-15-25)27-20-9-4-18(5-10-20)16-24-22(26)11-6-17-2-7-19(23)8-3-17/h2-11,21H,12-16H2,1H3,(H,24,26)/b11-6+
InChIKeyPIIMEZICEJGXHM-IZZDOVSWSA-N
MW384.91 g/mol
LogP4.14
Rot. Bonds6

About (E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide (PubChem CID 99970865) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide
PubChem CID99970865
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name(E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide
SMILESCN1CCC(Oc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C22H25ClN2O2/c1-25-14-12-21(13-15-25)27-20-9-4-18(5-10-20)16-24-22(26)11-6-17-2-7-19(23)8-3-17/h2-11,21H,12-16H2,1H3,(H,24,26)/b11-6+
InChIKeyPIIMEZICEJGXHM-IZZDOVSWSA-N
XLogP4.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide 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-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]prop-2-enamide
CID 108759157
(E)-3-(4-aminophenyl)-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 84555657
(E)-N-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)prop-2-enamide
CID 63529144
N-benzyl-3-(4-chlorophenyl)prop-2-enamide
CID 682148
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-phenylurea
CID 50875367
3-cyano-3-methyl-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]butanamide
CID 122140123
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 895858
3-[4-chloro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(4-chlorophenyl)methyl]prop-2-enamide
CID 70046129
N-[[4-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]methyl]-2,2-dimethylpropanamide
CID 67168820
(E)-N-[(4-chlorophenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 25296226
3-(4-chlorophenyl)-N-[[4-[methyl(pyridin-4-yl)amino]phenyl]methyl]prop-2-enamide
CID 154081844
N-methoxy-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]methanamine
CID 115005034

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide (CID 99970865) is (E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide is CN1CCC(Oc2ccc(CNC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide?
The InChIKey is PIIMEZICEJGXHM-IZZDOVSWSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-25-14-12-21(13-15-25)27-20-9-4-18(5-10-20)16-24-22(26)11-6-17-2-7-19(23)8-3-17/h2-11,21H,12-16H2,1H3,(H,24,26)/b11-6+.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide has a molecular weight of 384.91 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]prop-2-enamide is sourced from PubChem (CID 99970865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).