N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide

C19H27N3O2 — CID 126768915

IUPACN-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide
SMILESCN(C)CCN1CCC(CNC(=O)c2coc3ccccc23)CC1
InChIInChI=1S/C19H27N3O2/c1-21(2)11-12-22-9-7-15(8-10-22)13-20-19(23)17-14-24-18-6-4-3-5-16(17)18/h3-6,14-15H,7-13H2,1-2H3,(H,20,23)
InChIKeyRNDAPZUXJYNWTE-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.44
Rot. Bonds6

About N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide

N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide (PubChem CID 126768915) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide
PubChem CID126768915
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide
SMILESCN(C)CCN1CCC(CNC(=O)c2coc3ccccc23)CC1
InChIInChI=1S/C19H27N3O2/c1-21(2)11-12-22-9-7-15(8-10-22)13-20-19(23)17-14-24-18-6-4-3-5-16(17)18/h3-6,14-15H,7-13H2,1-2H3,(H,20,23)
InChIKeyRNDAPZUXJYNWTE-UHFFFAOYSA-N
XLogP2.44
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclopentyl)methyl]-1-benzofuran-3-carboxamide
CID 103279843
N-[(3-chlorocyclopentyl)methyl]-1-benzofuran-3-carboxamide
CID 114147037
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-fluoro-2-iodobenzamide
CID 86949707
2-amino-N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-phenylpropanamide
CID 120595902
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 47085944
N-(2-piperazin-1-ylethyl)-1-benzofuran-3-carboxamide;hydrochloride
CID 119449206
1-(1-benzofuran-3-yl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64596560
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 86949699
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
N',N'-dimethyl-1-benzofuran-3-carbohydrazide
CID 116848024
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 99123443
N-[(1-acetylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 110736135

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide (CID 126768915) is N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide is CN(C)CCN1CCC(CNC(=O)c2coc3ccccc23)CC1.
What is the InChIKey of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide?
The InChIKey is RNDAPZUXJYNWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21(2)11-12-22-9-7-15(8-10-22)13-20-19(23)17-14-24-18-6-4-3-5-16(17)18/h3-6,14-15H,7-13H2,1-2H3,(H,20,23).
What are the key properties of N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide?
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 126768915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).