N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide

C16H20N2O2 — CID 106627688

IUPACN-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCN(CC1CCCNC1)C(=O)c1coc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-18(10-12-5-4-8-17-9-12)16(19)14-11-20-15-7-3-2-6-13(14)15/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3
InChIKeyDLFBTHUDYTVWMZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.50
Rot. Bonds3

About N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide

N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide (PubChem CID 106627688) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide
PubChem CID106627688
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide
SMILESCN(CC1CCCNC1)C(=O)c1coc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-18(10-12-5-4-8-17-9-12)16(19)14-11-20-15-7-3-2-6-13(14)15/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3
InChIKeyDLFBTHUDYTVWMZ-UHFFFAOYSA-N
XLogP2.50
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627734
2-bromo-N,3-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 107983274
2-bromo-3-fluoro-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627953
2,4-dibromo-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107940298
2-chloro-5-hydroxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627741
5-fluoro-N,2-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627610
2-fluoro-N,5-dimethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628063
N-methyl-N-(piperidin-3-ylmethyl)thiophene-2-carboxamide;hydrochloride
CID 71642081
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide
CID 115760134
2,5-dimethoxy-N-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106627649
N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide
CID 106627592
N-methyl-N-(piperidin-3-ylmethyl)pyrimidine-5-carboxamide
CID 106627674

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide (CID 106627688) is N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide is CN(CC1CCCNC1)C(=O)c1coc2ccccc12.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide?
The InChIKey is DLFBTHUDYTVWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-18(10-12-5-4-8-17-9-12)16(19)14-11-20-15-7-3-2-6-13(14)15/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide?
N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 106627688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).