2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide

C23H26FN3O2 — CID 175662803

IUPAC2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1F)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26FN3O2/c1-17(28)25-22(15-19-9-5-6-10-21(19)24)23(29)26-20-11-13-27(14-12-20)16-18-7-3-2-4-8-18/h2-10,15,20H,11-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyXRYRLLVSNUQTRY-UHFFFAOYSA-N
MW395.48 g/mol
LogP3.08
Rot. Bonds6

About 2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide

2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide (PubChem CID 175662803) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide
PubChem CID175662803
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide
SMILESCC(=O)NC(=Cc1ccccc1F)C(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H26FN3O2/c1-17(28)25-22(15-19-9-5-6-10-21(19)24)23(29)26-20-11-13-27(14-12-20)16-18-7-3-2-4-8-18/h2-10,15,20H,11-14,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyXRYRLLVSNUQTRY-UHFFFAOYSA-N
XLogP3.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-(4-benzylpiperazin-1-yl)-1-(2-chlorophenyl)-3-oxoprop-1-en-2-yl]acetamide
CID 18524133
(E)-N-(1-benzylpiperidin-4-yl)-3-(5-bromo-2-fluorophenyl)prop-2-enamide
CID 26681649
ethyl 2-[(1-benzylpiperidin-4-yl)amino]-2-oxoacetate
CID 60894842
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
N-[(Z)-3-[(1-benzylpiperidin-4-yl)amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-3,4-dimethylbenzamide
CID 18552651
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
4-amino-N-(1-benzylpiperidin-4-yl)butanamide;dihydrochloride
CID 119827625
N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-[(1-benzylpiperidin-4-yl)carbamothioyl]propanamide
CID 17176578
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-phenylmethoxypropanamide
CID 46429379

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide?
The IUPAC name of 2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide (CID 175662803) is 2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide.
What is the SMILES notation for 2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide?
The canonical SMILES for 2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide is CC(=O)NC(=Cc1ccccc1F)C(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide?
The InChIKey is XRYRLLVSNUQTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-17(28)25-22(15-19-9-5-6-10-21(19)24)23(29)26-20-11-13-27(14-12-20)16-18-7-3-2-4-8-18/h2-10,15,20H,11-14,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide?
2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide has a molecular weight of 395.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1-benzylpiperidin-4-yl)-3-(2-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 175662803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).