3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride

C18H27Cl2N3O2 — CID 119462752

IUPAC3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride
SMILESCN(C)Cc1c(C(=O)NCC2CCCNC2)oc2ccccc12.Cl.Cl
InChIInChI=1S/C18H25N3O2.2ClH/c1-21(2)12-15-14-7-3-4-8-16(14)23-17(15)18(22)20-11-13-6-5-9-19-10-13;;/h3-4,7-8,13,19H,5-6,9-12H2,1-2H3,(H,20,22);2*1H
InChIKeyNSRJZRJOQHJCNN-UHFFFAOYSA-N
MW388.34 g/mol
LogP3.07
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride

3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride (PubChem CID 119462752) has the molecular formula C18H27Cl2N3O2 and a molecular weight of 388.34 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride
PubChem CID119462752
Molecular FormulaC18H27Cl2N3O2
Molecular Weight388.34 g/mol
Exact Mass387.15
IUPAC Name3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride
SMILESCN(C)Cc1c(C(=O)NCC2CCCNC2)oc2ccccc12.Cl.Cl
InChIInChI=1S/C18H25N3O2.2ClH/c1-21(2)12-15-14-7-3-4-8-16(14)23-17(15)18(22)20-11-13-6-5-9-19-10-13;;/h3-4,7-8,13,19H,5-6,9-12H2,1-2H3,(H,20,22);2*1H
InChIKeyNSRJZRJOQHJCNN-UHFFFAOYSA-N
XLogP3.07
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(dimethylamino)methyl]-N-piperidin-3-yl-1-benzofuran-2-carboxamide
CID 119427274
3-[(dimethylamino)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide;dihydrochloride
CID 120948162
3-[(dimethylamino)methyl]-N-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-1-benzofuran-2-carboxamide
CID 95932852
3-[(4-fluorophenyl)sulfanylmethyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 119460774
5-chloro-3-methyl-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119461945
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
3-[(dimethylamino)methyl]-N-[(4-hydroxythian-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 111484704
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
N-(2,3-dihydro-1H-isoindol-5-yl)-3-[(dimethylamino)methyl]-1-benzofuran-2-carboxamide
CID 166239486
4-oxo-N-(piperidin-3-ylmethyl)-3H-phthalazine-1-carboxamide
CID 71564585
3-[(dimethylamino)methyl]-N-[(1,5-dimethylpyrrol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 71991550

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride?
The IUPAC name of 3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride (CID 119462752) is 3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride is CN(C)Cc1c(C(=O)NCC2CCCNC2)oc2ccccc12.Cl.Cl.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride?
The InChIKey is NSRJZRJOQHJCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.2ClH/c1-21(2)12-15-14-7-3-4-8-16(14)23-17(15)18(22)20-11-13-6-5-9-19-10-13;;/h3-4,7-8,13,19H,5-6,9-12H2,1-2H3,(H,20,22);2*1H.
What are the key properties of 3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride?
3-[(dimethylamino)methyl]-N-(piperidin-3-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride has a molecular weight of 388.34 g/mol, XLogP of 3.07, 5 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-ylmethyl)-1-benzofuran-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119462752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).