3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide

C22H26N2O3S — CID 49215135

IUPAC3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCC2CCCN(Cc3cccs3)C2)oc2ccccc12
InChIInChI=1S/C22H26N2O3S/c1-26-15-19-18-8-2-3-9-20(18)27-21(19)22(25)23-12-16-6-4-10-24(13-16)14-17-7-5-11-28-17/h2-3,5,7-9,11,16H,4,6,10,12-15H2,1H3,(H,23,25)
InChIKeyIPLWEFTZBIPKBF-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.28
Rot. Bonds7

About 3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 49215135) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide
PubChem CID49215135
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Name3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCC2CCCN(Cc3cccs3)C2)oc2ccccc12
InChIInChI=1S/C22H26N2O3S/c1-26-15-19-18-8-2-3-9-20(18)27-21(19)22(25)23-12-16-6-4-10-24(13-16)14-17-7-5-11-28-17/h2-3,5,7-9,11,16H,4,6,10,12-15H2,1H3,(H,23,25)
InChIKeyIPLWEFTZBIPKBF-UHFFFAOYSA-N
XLogP4.28
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]chromene-2-carboxamide
CID 49215023
3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 51151164
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopentanecarboxamide
CID 94819121
(2S)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307465
(2R)-1-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-2-carboxamide
CID 95307464
3-(methoxymethyl)-N'-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-1-carboximidamide
CID 111736379
N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 124581557
1-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119865348
1-(2-hydroxyethyl)-3-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 49280156
1-methyl-2-oxo-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 49214790
(2S)-2-methyl-N-[[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]pentanamide
CID 95318380
N-[[1-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55665868

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide (CID 49215135) is 3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide is COCc1c(C(=O)NCC2CCCN(Cc3cccs3)C2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is IPLWEFTZBIPKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3S/c1-26-15-19-18-8-2-3-9-20(18)27-21(19)22(25)23-12-16-6-4-10-24(13-16)14-17-7-5-11-28-17/h2-3,5,7-9,11,16H,4,6,10,12-15H2,1H3,(H,23,25).
What are the key properties of 3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 49215135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).