N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide

C16H22N2O2 — CID 106627941

IUPACN-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(CC1CCCNC1)C(=O)C1COc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-18(10-12-5-4-8-17-9-12)16(19)14-11-20-15-7-3-2-6-13(14)15/h2-3,6-7,12,14,17H,4-5,8-11H2,1H3
InChIKeySCIQZTOOCWFRCT-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.62
Rot. Bonds3

About N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide

N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 106627941) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID106627941
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESCN(CC1CCCNC1)C(=O)C1COc2ccccc21
InChIInChI=1S/C16H22N2O2/c1-18(10-12-5-4-8-17-9-12)16(19)14-11-20-15-7-3-2-6-13(14)15/h2-3,6-7,12,14,17H,4-5,8-11H2,1H3
InChIKeySCIQZTOOCWFRCT-UHFFFAOYSA-N
XLogP1.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 97164554
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638708
N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624364
N-methyl-N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 106627645
N-methyl-3-phenyl-N-(piperidin-3-ylmethyl)prop-2-ynamide
CID 106627592
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80566287
2-(2-bromophenyl)-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 84606471
benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
CID 96555658
N-ethyl-N-(piperidin-3-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 106624688
N,5-dimethyl-N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 106627633
N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106626211
N-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-3-carboxamide
CID 106627688

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 106627941) is N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide is CN(CC1CCCNC1)C(=O)C1COc2ccccc21.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is SCIQZTOOCWFRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-18(10-12-5-4-8-17-9-12)16(19)14-11-20-15-7-3-2-6-13(14)15/h2-3,6-7,12,14,17H,4-5,8-11H2,1H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
N-methyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.62, 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)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 106627941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).