[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride

C19H27Cl2N3O2 — CID 119645055

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(-c3ccco3)nc2C)CC1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-3-20-13-15-8-10-22(11-9-15)19(23)16-6-7-17(21-14(16)2)18-5-4-12-24-18;;/h4-7,12,15,20H,3,8-11,13H2,1-2H3;2*1H
InChIKeyAPVBDTNIJBEXCW-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.96
Rot. Bonds5

About [4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride

[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride (PubChem CID 119645055) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
PubChem CID119645055
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
SMILESCCNCC1CCN(C(=O)c2ccc(-c3ccco3)nc2C)CC1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-3-20-13-15-8-10-22(11-9-15)19(23)16-6-7-17(21-14(16)2)18-5-4-12-24-18;;/h4-7,12,15,20H,3,8-11,13H2,1-2H3;2*1H
InChIKeyAPVBDTNIJBEXCW-UHFFFAOYSA-N
XLogP3.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride with MolForge

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119622400
[4-(1-aminoethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119517591
[(3R)-3-aminopyrrolidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone
CID 119410101
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride
CID 119644492
(4-amino-3,3-dimethylpiperidin-1-yl)-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 120818933
(3R)-1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 99718288
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 80551479
[6-(furan-2-yl)-2-methyl-3-pyridinyl]-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 95296331
N-[[1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55781182
1-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 102553983
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 119645557
[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone
CID 59144976

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride (CID 119645055) is [4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride is CCNCC1CCN(C(=O)c2ccc(-c3ccco3)nc2C)CC1.Cl.Cl.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride?
The InChIKey is APVBDTNIJBEXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c1-3-20-13-15-8-10-22(11-9-15)19(23)16-6-7-17(21-14(16)2)18-5-4-12-24-18;;/h4-7,12,15,20H,3,8-11,13H2,1-2H3;2*1H.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride?
[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride is sourced from PubChem (CID 119645055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).