N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide

C21H23FN2O — CID 168965341

IUPACN-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(-c2ccc(F)cc2)cc1C1CCCNC1
InChIInChI=1S/C21H23FN2O/c1-2-21(25)24-14-18-6-5-16(15-7-9-19(22)10-8-15)12-20(18)17-4-3-11-23-13-17/h2,5-10,12,17,23H,1,3-4,11,13-14H2,(H,24,25)
InChIKeyRFTUBQOENSBHDN-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.76
Rot. Bonds5

About N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide

N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide (PubChem CID 168965341) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide
PubChem CID168965341
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC NameN-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(-c2ccc(F)cc2)cc1C1CCCNC1
InChIInChI=1S/C21H23FN2O/c1-2-21(25)24-14-18-6-5-16(15-7-9-19(22)10-8-15)12-20(18)17-4-3-11-23-13-17/h2,5-10,12,17,23H,1,3-4,11,13-14H2,(H,24,25)
InChIKeyRFTUBQOENSBHDN-UHFFFAOYSA-N
XLogP3.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[2-(difluoromethyl)triazolidin-4-yl]-4-(4-fluorophenyl)phenyl]methyl]prop-2-enamide
CID 168964718
N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3770409
N-[[4-(4-fluorophenyl)-2-[1-(1-methylcyclopropyl)pyrazol-3-yl]phenyl]methyl]prop-2-enamide
CID 168965020
N-[[2-(4-fluorophenyl)-3-pyridinyl]methyl]prop-2-enamide
CID 53148242
N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3846497
(3R)-3-(2-bromo-5-fluorophenyl)piperidine
CID 130626655
4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile
CID 168965451
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 119316632
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
1-[2-(4-fluorophenyl)-6-methyl-5-[(3S)-piperidin-3-yl]-1-benzofuran-3-yl]ethanone
CID 144766294
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
2,4-difluoro-6-piperidin-3-ylphenol
CID 84782649

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide?
The IUPAC name of N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide (CID 168965341) is N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide is C=CC(=O)NCc1ccc(-c2ccc(F)cc2)cc1C1CCCNC1.
What is the InChIKey of N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide?
The InChIKey is RFTUBQOENSBHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-2-21(25)24-14-18-6-5-16(15-7-9-19(22)10-8-15)12-20(18)17-4-3-11-23-13-17/h2,5-10,12,17,23H,1,3-4,11,13-14H2,(H,24,25).
What are the key properties of N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide?
N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide has a molecular weight of 338.43 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)-2-piperidin-3-ylphenyl]methyl]prop-2-enamide is sourced from PubChem (CID 168965341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).