N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide

C17H23FN2O — CID 79700451

IUPACN-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide
SMILESCCN(CC1CCNCC1)C(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-2-20(13-15-9-11-19-12-10-15)17(21)8-5-14-3-6-16(18)7-4-14/h3-8,15,19H,2,9-13H2,1H3
InChIKeyLCKFAWKBUUKUHD-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.69
Rot. Bonds5

About N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide

N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide (PubChem CID 79700451) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide
PubChem CID79700451
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide
SMILESCCN(CC1CCNCC1)C(=O)C=Cc1ccc(F)cc1
InChIInChI=1S/C17H23FN2O/c1-2-20(13-15-9-11-19-12-10-15)17(21)8-5-14-3-6-16(18)7-4-14/h3-8,15,19H,2,9-13H2,1H3
InChIKeyLCKFAWKBUUKUHD-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.69
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

3-(4-chlorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79700874
(E)-N-ethyl-3-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)prop-2-enamide
CID 106626270
N-ethyl-3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 79720544
N-ethyl-3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 3350679
(E)-N-ethyl-3-(4-fluorophenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 78858681
N-ethyl-3-methyl-N-(piperidin-4-ylmethyl)but-2-enamide
CID 79721059
(E)-N-ethyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106609156
N-ethyl-2,6-dihydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 107690375
N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)furan-3-carboxamide
CID 79720319
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
CID 79698350
2-[3-(4-fluorophenyl)prop-2-enoyl-(oxolan-2-ylmethyl)amino]acetic acid
CID 71915579
N-ethyl-N-(piperidin-4-ylmethyl)furan-2-carboxamide
CID 79720984

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide?
The IUPAC name of N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide (CID 79700451) is N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide is CCN(CC1CCNCC1)C(=O)C=Cc1ccc(F)cc1.
What is the InChIKey of N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide?
The InChIKey is LCKFAWKBUUKUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-2-20(13-15-9-11-19-12-10-15)17(21)8-5-14-3-6-16(18)7-4-14/h3-8,15,19H,2,9-13H2,1H3.
What are the key properties of N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide?
N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide has a molecular weight of 290.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 79700451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).