N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide

C23H34N2O5 — CID 56856364

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCOCCN1CCC(CN(CC2CCCO2)C(=O)c2coc3c2C(=O)CCC3)CC1
InChIInChI=1S/C23H34N2O5/c1-28-13-11-24-9-7-17(8-10-24)14-25(15-18-4-3-12-29-18)23(27)19-16-30-21-6-2-5-20(26)22(19)21/h16-18H,2-15H2,1H3
InChIKeyVFQYHNDMJKIGPU-UHFFFAOYSA-N
MW418.53 g/mol
LogP2.78
Rot. Bonds8

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide (PubChem CID 56856364) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide
PubChem CID56856364
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide
SMILESCOCCN1CCC(CN(CC2CCCO2)C(=O)c2coc3c2C(=O)CCC3)CC1
InChIInChI=1S/C23H34N2O5/c1-28-13-11-24-9-7-17(8-10-24)14-25(15-18-4-3-12-29-18)23(27)19-16-30-21-6-2-5-20(26)22(19)21/h16-18H,2-15H2,1H3
InChIKeyVFQYHNDMJKIGPU-UHFFFAOYSA-N
XLogP2.78
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide (CID 56856364) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide is COCCN1CCC(CN(CC2CCCO2)C(=O)c2coc3c2C(=O)CCC3)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
The InChIKey is VFQYHNDMJKIGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-28-13-11-24-9-7-17(8-10-24)14-25(15-18-4-3-12-29-18)23(27)19-16-30-21-6-2-5-20(26)22(19)21/h16-18H,2-15H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 2.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-5H-1-benzofuran-3-carboxamide is sourced from PubChem (CID 56856364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).