N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride

C21H27Cl2N3O3 — CID 120646550

IUPACN-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)CCNCC1.Cl.Cl
InChIInChI=1S/C21H25N3O3.2ClH/c1-26-14-21(8-10-22-11-9-21)20(25)24-19-4-2-3-17(23-19)15-5-6-18-16(13-15)7-12-27-18;;/h2-6,13,22H,7-12,14H2,1H3,(H,23,24,25);2*1H
InChIKeyXQZJKXMLBSAJOP-UHFFFAOYSA-N
MW440.37 g/mol
LogP3.48
Rot. Bonds5

About N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride

N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 120646550) has the molecular formula C21H27Cl2N3O3 and a molecular weight of 440.37 g/mol. Its IUPAC name is N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
PubChem CID120646550
Molecular FormulaC21H27Cl2N3O3
Molecular Weight440.37 g/mol
Exact Mass439.14
IUPAC NameN-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)CCNCC1.Cl.Cl
InChIInChI=1S/C21H25N3O3.2ClH/c1-26-14-21(8-10-22-11-9-21)20(25)24-19-4-2-3-17(23-19)15-5-6-18-16(13-15)7-12-27-18;;/h2-6,13,22H,7-12,14H2,1H3,(H,23,24,25);2*1H
InChIKeyXQZJKXMLBSAJOP-UHFFFAOYSA-N
XLogP3.48
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.37
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(methylamino)acetamide
CID 120704421
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylpropanamide;dihydrochloride
CID 119881833
(2R,3S)-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120941445
3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120892284
2-(2,3-dihydro-1-benzofuran-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120887242
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616823
2-amino-N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120800256
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-1,4-dimethyl-6-oxopyridazine-3-carboxamide
CID 167958842
1-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 154746744
4-amino-N-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]-3-methoxybutanamide;dihydrochloride
CID 120596723
N-(2,3-dihydro-1-benzofuran-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63140119
N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119699062

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride (CID 120646550) is N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
The InChIKey is XQZJKXMLBSAJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.2ClH/c1-26-14-21(8-10-22-11-9-21)20(25)24-19-4-2-3-17(23-19)15-5-6-18-16(13-15)7-12-27-18;;/h2-6,13,22H,7-12,14H2,1H3,(H,23,24,25);2*1H.
What are the key properties of N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride?
N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 440.37 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-dihydro-1-benzofuran-5-yl)-2-pyridinyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120646550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).