N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide

C22H29FN2O3 — CID 24790716

IUPACN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide
SMILESCOCc1ccc(C(=O)N(C)CC2CCCN(CCc3ccccc3F)C2)o1
InChIInChI=1S/C22H29FN2O3/c1-24(22(26)21-10-9-19(28-21)16-27-2)14-17-6-5-12-25(15-17)13-11-18-7-3-4-8-20(18)23/h3-4,7-10,17H,5-6,11-16H2,1-2H3
InChIKeyTXLUAFDWOZTACH-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.59
Rot. Bonds8

About N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide

N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide (PubChem CID 24790716) has the molecular formula C22H29FN2O3 and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide
PubChem CID24790716
Molecular FormulaC22H29FN2O3
Molecular Weight388.48 g/mol
Exact Mass388.22
IUPAC NameN-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide
SMILESCOCc1ccc(C(=O)N(C)CC2CCCN(CCc3ccccc3F)C2)o1
InChIInChI=1S/C22H29FN2O3/c1-24(22(26)21-10-9-19(28-21)16-27-2)14-17-6-5-12-25(15-17)13-11-18-7-3-4-8-20(18)23/h3-4,7-10,17H,5-6,11-16H2,1-2H3
InChIKeyTXLUAFDWOZTACH-UHFFFAOYSA-N
XLogP3.59
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ave5638
CID 9801235
4-((3-Methyl-1-benzofuran-2-YL)carbonyl)morpholine
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[5-(4-Isopropyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
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5-[(4-tert-butylphenoxy)methyl]-N-isopropyl-2-furamide
CID 892519
[5-(3,4-Dimethyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 1084328
[5-(4-Propyl-phenoxymethyl)-furan-2-yl]-pyrrolidin-1-yl-methanone
CID 1091762
5-[(4-tert-butylphenoxy)methyl]-N-propyl-2-furamide
CID 2166341
5-[(2-methoxyphenoxy)methyl]-N-(1-phenylethyl)-2-furamide
CID 2942268
2-Benzofuranyl-4-morpholinylmethanone
CID 3819793
Furan-2-yl-[4-(4-methoxy-benzoyl)-piperidin-1-yl]-methanone
CID 652876
1-[4-(1-Benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 2116981

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide (CID 24790716) is N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide is COCc1ccc(C(=O)N(C)CC2CCCN(CCc3ccccc3F)C2)o1.
What is the InChIKey of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide?
The InChIKey is TXLUAFDWOZTACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O3/c1-24(22(26)21-10-9-19(28-21)16-27-2)14-17-6-5-12-25(15-17)13-11-18-7-3-4-8-20(18)23/h3-4,7-10,17H,5-6,11-16H2,1-2H3.
What are the key properties of N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide?
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-5-(methoxymethyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 24790716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).