(E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane

C28H34ClFN2O2 — CID 142871656

IUPAC(E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane
SMILESC=C(C(N)=O)/C(=C/C)c1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c(Cl)cc1C.CC
InChIInChI=1S/C26H28ClFN2O2.C2H6/c1-4-21(17(3)25(29)31)22-15-23(24(27)13-16(22)2)26(32)30-11-9-19(10-12-30)14-18-5-7-20(28)8-6-18;1-2/h4-8,13,15,19H,3,9-12,14H2,1-2H3,(H2,29,31);1-2H3/b21-4-;
InChIKeyXOZSBSBOBMYVQV-LGYNVNGDSA-N
MW485.04 g/mol
LogP6.35
Rot. Bonds6

About (E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane

(E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane (PubChem CID 142871656) has the molecular formula C28H34ClFN2O2 and a molecular weight of 485.04 g/mol. Its IUPAC name is (E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane.

Molecular Properties

Compound Name(E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane
PubChem CID142871656
Molecular FormulaC28H34ClFN2O2
Molecular Weight485.04 g/mol
Exact Mass484.23
IUPAC Name(E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane
SMILESC=C(C(N)=O)/C(=C/C)c1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c(Cl)cc1C.CC
InChIInChI=1S/C26H28ClFN2O2.C2H6/c1-4-21(17(3)25(29)31)22-15-23(24(27)13-16(22)2)26(32)30-11-9-19(10-12-30)14-18-5-7-20(28)8-6-18;1-2/h4-8,13,15,19H,3,9-12,14H2,1-2H3,(H2,29,31);1-2H3/b21-4-;
InChIKeyXOZSBSBOBMYVQV-LGYNVNGDSA-N
XLogP6.35
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.04
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane 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-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-4-methoxy-2-methylphenyl]-2-oxohex-3-enoic acid;propane
CID 142243982
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methyl-2,3-dihydroindol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 71179713
[6-chloro-1-(ethoxymethyl)indol-5-yl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 141125366
6-chloro-1H-indole-5-carboxylic acid;(6-chloro-1H-indol-5-yl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;4-[(4-fluorophenyl)methyl]piperidine
CID 158886868
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-propan-2-ylindol-3-yl]-N,N-dimethyl-2-oxoacetamide
CID 10239303
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide
CID 138530050
(2-chloro-4,5-dimethylphenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110028121
N-[4-chloro-3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide
CID 24995162
(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 70706949
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2,3-dihydro-1H-indol-3-yl]-N-methyl-2-oxo-N-propan-2-ylacetamide
CID 71167023
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide
CID 20763791
ethene;ethenol;[2-ethyl-4-methyl-5-[(4Z)-octa-1,4-dien-4-yl]phenyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 142907562

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane?
The IUPAC name of (E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane (CID 142871656) is (E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane.
What is the SMILES notation for (E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane?
The canonical SMILES for (E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane is C=C(C(N)=O)/C(=C/C)c1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c(Cl)cc1C.CC.
What is the InChIKey of (E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane?
The InChIKey is XOZSBSBOBMYVQV-LGYNVNGDSA-N. The full InChI is InChI=1S/C26H28ClFN2O2.C2H6/c1-4-21(17(3)25(29)31)22-15-23(24(27)13-16(22)2)26(32)30-11-9-19(10-12-30)14-18-5-7-20(28)8-6-18;1-2/h4-8,13,15,19H,3,9-12,14H2,1-2H3,(H2,29,31);1-2H3/b21-4-;.
What are the key properties of (E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane?
(E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane has a molecular weight of 485.04 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-2-methylphenyl]-2-methylidenepent-3-enamide;ethane is sourced from PubChem (CID 142871656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).