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

C25H29FN2O2 — CID 24791395

IUPACN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C25H29FN2O2/c1-2-28(25(29)24-16-21-9-3-4-11-23(21)30-24)18-20-8-6-13-27(17-20)14-12-19-7-5-10-22(26)15-19/h3-5,7,9-11,15-16,20H,2,6,8,12-14,17-18H2,1H3
InChIKeyNESFIPBVVKVOMY-UHFFFAOYSA-N
MW408.52 g/mol
LogP4.99
Rot. Bonds7

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

N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 24791395) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID24791395
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC NameN-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C25H29FN2O2/c1-2-28(25(29)24-16-21-9-3-4-11-23(21)30-24)18-20-8-6-13-27(17-20)14-12-19-7-5-10-22(26)15-19/h3-5,7,9-11,15-16,20H,2,6,8,12-14,17-18H2,1H3
InChIKeyNESFIPBVVKVOMY-UHFFFAOYSA-N
XLogP4.99
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 54.99
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-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide (CID 24791395) is N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide is CCN(CC1CCCN(CCc2cccc(F)c2)C1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is NESFIPBVVKVOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c1-2-28(25(29)24-16-21-9-3-4-11-23(21)30-24)18-20-8-6-13-27(17-20)14-12-19-7-5-10-22(26)15-19/h3-5,7,9-11,15-16,20H,2,6,8,12-14,17-18H2,1H3.
What are the key properties of N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide?
N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 408.52 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[2-(3-fluorophenyl)ethyl]piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24791395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).