(E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide

C22H27FN2O2 — CID 26326658

IUPAC(E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
SMILESCN(CC1CCN(CCc2ccccc2F)CC1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C22H27FN2O2/c1-24(22(26)9-8-20-6-4-16-27-20)17-18-10-13-25(14-11-18)15-12-19-5-2-3-7-21(19)23/h2-9,16,18H,10-15,17H2,1H3/b9-8+
InChIKeyQSGTWMIVQKZZHA-CMDGGOBGSA-N
MW370.47 g/mol
LogP3.85
Rot. Bonds7

About (E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide

(E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide (PubChem CID 26326658) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is (E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
PubChem CID26326658
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC Name(E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
SMILESCN(CC1CCN(CCc2ccccc2F)CC1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C22H27FN2O2/c1-24(22(26)9-8-20-6-4-16-27-20)17-18-10-13-25(14-11-18)15-12-19-5-2-3-7-21(19)23/h2-9,16,18H,10-15,17H2,1H3/b9-8+
InChIKeyQSGTWMIVQKZZHA-CMDGGOBGSA-N
XLogP3.85
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide
CID 42241898
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide
CID 25461385
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyloxolane-2-carboxamide
CID 45210723
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.4]heptane-2-carboxamide
CID 45213154
1-N'-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 42564854
(2S)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 25447069
(2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 25447065
methyl 4-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl-methylcarbamoyl]benzoate
CID 25446804
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 72901178
(E)-3-(furan-2-yl)-N-[[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-N-methylprop-2-en-1-amine
CID 26327390
(E)-3-(furan-2-yl)-N-methyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106607941
2-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]ethanamine
CID 95461564

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide (CID 26326658) is (E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide is CN(CC1CCN(CCc2ccccc2F)CC1)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
The InChIKey is QSGTWMIVQKZZHA-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-24(22(26)9-8-20-6-4-16-27-20)17-18-10-13-25(14-11-18)15-12-19-5-2-3-7-21(19)23/h2-9,16,18H,10-15,17H2,1H3/b9-8+.
What are the key properties of (E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide?
(E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide has a molecular weight of 370.47 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 26326658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).