3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide

C24H26N2O4 — CID 55693275

IUPAC3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCc2cccc(C(=O)N3CCCCC3)c2)oc2ccccc12
InChIInChI=1S/C24H26N2O4/c1-29-16-20-19-10-3-4-11-21(19)30-22(20)23(27)25-15-17-8-7-9-18(14-17)24(28)26-12-5-2-6-13-26/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,25,27)
InChIKeySZMPJPIINNVBKQ-UHFFFAOYSA-N
MW406.48 g/mol
LogP4.14
Rot. Bonds6

About 3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide (PubChem CID 55693275) has the molecular formula C24H26N2O4 and a molecular weight of 406.48 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
PubChem CID55693275
Molecular FormulaC24H26N2O4
Molecular Weight406.48 g/mol
Exact Mass406.19
IUPAC Name3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCc2cccc(C(=O)N3CCCCC3)c2)oc2ccccc12
InChIInChI=1S/C24H26N2O4/c1-29-16-20-19-10-3-4-11-21(19)30-22(20)23(27)25-15-17-8-7-9-18(14-17)24(28)26-12-5-2-6-13-26/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,25,27)
InChIKeySZMPJPIINNVBKQ-UHFFFAOYSA-N
XLogP4.14
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 55709892
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
[4-[[[3-(methoxymethyl)-1-benzofuran-2-carbonyl]amino]methyl]phenyl]methyl-dimethylazanium
CID 8533387
3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 18092742
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
[3-(methoxymethyl)-1-benzofuran-2-yl]-morpholin-4-ylmethanone
CID 18105358
3-(methoxymethyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 51151164
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
N-[(3-chlorophenyl)methyl]-3-(ethoxymethyl)-1-benzofuran-2-carboxamide
CID 9079515
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
CID 51120858

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide (CID 55693275) is 3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide is COCc1c(C(=O)NCc2cccc(C(=O)N3CCCCC3)c2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
The InChIKey is SZMPJPIINNVBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4/c1-29-16-20-19-10-3-4-11-21(19)30-22(20)23(27)25-15-17-8-7-9-18(14-17)24(28)26-12-5-2-6-13-26/h3-4,7-11,14H,2,5-6,12-13,15-16H2,1H3,(H,25,27).
What are the key properties of 3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55693275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).