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

C17H23N3O2 — CID 119427274

IUPAC3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide
SMILESCN(C)Cc1c(C(=O)NC2CCCNC2)oc2ccccc12
InChIInChI=1S/C17H23N3O2/c1-20(2)11-14-13-7-3-4-8-15(13)22-16(14)17(21)19-12-6-5-9-18-10-12/h3-4,7-8,12,18H,5-6,9-11H2,1-2H3,(H,19,21)
InChIKeyNMNZIKMRPFVWSV-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.98
Rot. Bonds4

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

3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide (PubChem CID 119427274) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide
PubChem CID119427274
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide
SMILESCN(C)Cc1c(C(=O)NC2CCCNC2)oc2ccccc12
InChIInChI=1S/C17H23N3O2/c1-20(2)11-14-13-7-3-4-8-15(13)22-16(14)17(21)19-12-6-5-9-18-10-12/h3-4,7-8,12,18H,5-6,9-11H2,1-2H3,(H,19,21)
InChIKeyNMNZIKMRPFVWSV-UHFFFAOYSA-N
XLogP1.98
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride
CID 119462752
3-[(2-fluorophenyl)sulfanylmethyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide;hydrochloride
CID 119428507
3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 95932852
3-[(dimethylamino)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide;dihydrochloride
CID 120948162
N-[(3R)-piperidin-3-yl]-1-benzofuran-2-carboxamide
CID 93216054
3-[[methyl(piperidin-4-yl)amino]methyl]-1-benzofuran-2-carboxylic acid
CID 61404819
3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide
CID 166239486
[3-[(dimethylamino)methyl]-1-benzofuran-2-yl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119646767
N-piperidin-3-ylbenzamide
CID 22017045
N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-(methylsulfonylmethyl)-1-benzofuran-2-carboxamide
CID 136528732
4-methyl-N-piperidin-3-yl-1,3-oxazole-5-carboxamide
CID 81471254

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide (CID 119427274) is 3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide is CN(C)Cc1c(C(=O)NC2CCCNC2)oc2ccccc12.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide?
The InChIKey is NMNZIKMRPFVWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-20(2)11-14-13-7-3-4-8-15(13)22-16(14)17(21)19-12-6-5-9-18-10-12/h3-4,7-8,12,18H,5-6,9-11H2,1-2H3,(H,19,21).
What are the key properties of 3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide?
3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 119427274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).