N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide

C24H27FN2O2 — CID 46943147

IUPACN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(CC1CCCN(CCc2ccccc2F)C1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C24H27FN2O2/c1-26(24(28)23-15-20-9-3-5-11-22(20)29-23)16-18-7-6-13-27(17-18)14-12-19-8-2-4-10-21(19)25/h2-5,8-11,15,18H,6-7,12-14,16-17H2,1H3
InChIKeyNUFITHHASBWZBH-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.60
Rot. Bonds6

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

N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide (PubChem CID 46943147) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide
PubChem CID46943147
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC NameN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide
SMILESCN(CC1CCCN(CCc2ccccc2F)C1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C24H27FN2O2/c1-26(24(28)23-15-20-9-3-5-11-22(20)29-23)16-18-7-6-13-27(17-18)14-12-19-8-2-4-10-21(19)25/h2-5,8-11,15,18H,6-7,12-14,16-17H2,1H3
InChIKeyNUFITHHASBWZBH-UHFFFAOYSA-N
XLogP4.60
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CL82198
CID 2777
Ave5638
CID 9801235
Befuraline
CID 68664
2-Benzofurancarboxamide, N-methyl-
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Befuraline hydrochloride
CID 73346
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
CID 768761
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
1-(1-Benzofuran-2-ylcarbonyl)-4-methylpiperidine
CID 977492
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
Cmdc.202100576, 23b
CID 146362646
1-(1-Benzofuran-2-ylmethyl)-4-[[4-(2-fluoroethoxy)phenyl]methyl]piperazine
CID 44189150
N-((Benzofuran-2-yl)methyl)-N''-(4''-methoxybenzyl)piperazine
CID 46914487

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide (CID 46943147) is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide is CN(CC1CCCN(CCc2ccccc2F)C1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide?
The InChIKey is NUFITHHASBWZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-26(24(28)23-15-20-9-3-5-11-22(20)29-23)16-18-7-6-13-27(17-18)14-12-19-8-2-4-10-21(19)25/h2-5,8-11,15,18H,6-7,12-14,16-17H2,1H3.
What are the key properties of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide?
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 4.60, 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-3-yl]methyl]-N-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46943147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).