N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide

C21H27FN2O2 — CID 42241898

IUPACN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)CC1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C21H27FN2O2/c1-16-19(10-14-26-16)21(25)23(2)15-17-7-11-24(12-8-17)13-9-18-5-3-4-6-20(18)22/h3-6,10,14,17H,7-9,11-13,15H2,1-2H3
InChIKeyBBMWFKYKYFDPDP-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.75
Rot. Bonds6

About N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide

N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide (PubChem CID 42241898) has the molecular formula C21H27FN2O2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide
PubChem CID42241898
Molecular FormulaC21H27FN2O2
Molecular Weight358.46 g/mol
Exact Mass358.21
IUPAC NameN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide
SMILESCc1occc1C(=O)N(C)CC1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C21H27FN2O2/c1-16-19(10-14-26-16)21(25)23(2)15-17-7-11-24(12-8-17)13-9-18-5-3-4-6-20(18)22/h3-6,10,14,17H,7-9,11-13,15H2,1-2H3
InChIKeyBBMWFKYKYFDPDP-UHFFFAOYSA-N
XLogP3.75
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 26326658
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide
CID 25461385
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-methyloxolane-2-carboxamide
CID 45210723
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 72901178
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.4]heptane-2-carboxamide
CID 45213154
N-[2-(2-fluorophenyl)-1-[1-(3-methylbutyl)piperidin-4-yl]ethyl]-N,2-dimethylfuran-3-carboxamide
CID 45192419
1-N'-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 42564854
(2R)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 25447065
(2S)-N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methylspiro[2.5]octane-2-carboxamide
CID 25447069
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,3-trimethylbenzamide
CID 42195502
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide
CID 45184990

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide?
The IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide (CID 42241898) is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide is Cc1occc1C(=O)N(C)CC1CCN(CCc2ccccc2F)CC1.
What is the InChIKey of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide?
The InChIKey is BBMWFKYKYFDPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O2/c1-16-19(10-14-26-16)21(25)23(2)15-17-7-11-24(12-8-17)13-9-18-5-3-4-6-20(18)22/h3-6,10,14,17H,7-9,11-13,15H2,1-2H3.
What are the key properties of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide?
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide has a molecular weight of 358.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N,2-dimethylfuran-3-carboxamide is sourced from PubChem (CID 42241898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).