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

C16H19FN2O2 — CID 71901760

IUPACN-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
SMILESCC(=O)N1CCC(NC(=O)C=Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H19FN2O2/c1-12(20)19-9-7-15(8-10-19)18-16(21)6-5-13-3-2-4-14(17)11-13/h2-6,11,15H,7-10H2,1H3,(H,18,21)
InChIKeyIZUVASFALRNODP-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.97
Rot. Bonds3

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

N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 71901760) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
PubChem CID71901760
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
SMILESCC(=O)N1CCC(NC(=O)C=Cc2cccc(F)c2)CC1
InChIInChI=1S/C16H19FN2O2/c1-12(20)19-9-7-15(8-10-19)18-16(21)6-5-13-3-2-4-14(17)11-13/h2-6,11,15H,7-10H2,1H3,(H,18,21)
InChIKeyIZUVASFALRNODP-UHFFFAOYSA-N
XLogP1.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)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

N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 71901761
3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 74880395
(E)-3-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 43389280
(E)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(3-fluorophenyl)prop-2-enamide
CID 8590045
(Z)-3-(3-fluorophenyl)-N-[(1R,3R)-3-methylsulfonylcyclohexyl]prop-2-enamide
CID 100831779
(E)-3-(3-fluorophenyl)-N-(3-methylsulfonylcyclohexyl)prop-2-enamide
CID 75407686
4-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 17476363
(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108563408
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868532
N-cyclopropyl-2-[4-[(E)-3-(3-fluorophenyl)prop-2-enoyl]piperazin-1-yl]acetamide
CID 31426569

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide (CID 71901760) is N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide is CC(=O)N1CCC(NC(=O)C=Cc2cccc(F)c2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is IZUVASFALRNODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-12(20)19-9-7-15(8-10-19)18-16(21)6-5-13-3-2-4-14(17)11-13/h2-6,11,15H,7-10H2,1H3,(H,18,21).
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide?
N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 290.34 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 71901760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).