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

C16H19FN2O2 — CID 71901761

IUPACN-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCC(=O)N1CCC(NC(=O)C=Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN2O2/c1-12(20)19-10-8-15(9-11-19)18-16(21)7-4-13-2-5-14(17)6-3-13/h2-7,15H,8-11H2,1H3,(H,18,21)
InChIKeyUTDNYYZNCIIJCW-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.97
Rot. Bonds3

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

N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide (PubChem CID 71901761) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide
PubChem CID71901761
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide
SMILESCC(=O)N1CCC(NC(=O)C=Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FN2O2/c1-12(20)19-10-8-15(9-11-19)18-16(21)7-4-13-2-5-14(17)6-3-13/h2-7,15H,8-11H2,1H3,(H,18,21)
InChIKeyUTDNYYZNCIIJCW-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'}

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Related Compounds

N-(1-acetylpiperidin-4-yl)-3-(3-fluorophenyl)prop-2-enamide
CID 71901760
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868532
4-[[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]amino]piperidine-1-carboxamide
CID 75534696
N-cyclohexyl-4-[[(E)-3-(4-methylsulfanylphenyl)prop-2-enoyl]amino]piperidine-1-carboxamide
CID 86875268
(E)-3-phenyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]prop-2-enamide
CID 108563408
tert-butyl 4-[3-(4-methylphenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868527
(E)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 46540248
(E)-3-phenyl-N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]prop-2-enamide
CID 127179670
ethyl 4-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]piperidine-1-carboxylate
CID 31542176
(E)-3-(4-aminophenyl)-N-(1-methylpyrrolidin-3-yl)prop-2-enamide
CID 115343735
(E)-3-(4-fluorophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]prop-2-enamide
CID 104956851
(E)-3-(4-bromophenyl)-N-cyclopropylprop-2-enamide
CID 903325

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide (CID 71901761) is N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide is CC(=O)N1CCC(NC(=O)C=Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide?
The InChIKey is UTDNYYZNCIIJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-12(20)19-10-8-15(9-11-19)18-16(21)7-4-13-2-5-14(17)6-3-13/h2-7,15H,8-11H2,1H3,(H,18,21).
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-(4-fluorophenyl)prop-2-enamide?
N-(1-acetylpiperidin-4-yl)-3-(4-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-(4-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 71901761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).