[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride

C15H21Cl2N3O2 — CID 119469805

IUPAC[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
SMILESCc1ccc2oc(C(=O)N3CCCCC3CN)cc2n1.Cl.Cl
InChIInChI=1S/C15H19N3O2.2ClH/c1-10-5-6-13-12(17-10)8-14(20-13)15(19)18-7-3-2-4-11(18)9-16;;/h5-6,8,11H,2-4,7,9,16H2,1H3;2*1H
InChIKeyPITDHHGKVNHNEK-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.93
Rot. Bonds2

About [2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride

[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride (PubChem CID 119469805) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is [2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
PubChem CID119469805
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
SMILESCc1ccc2oc(C(=O)N3CCCCC3CN)cc2n1.Cl.Cl
InChIInChI=1S/C15H19N3O2.2ClH/c1-10-5-6-13-12(17-10)8-14(20-13)15(19)18-7-3-2-4-11(18)9-16;;/h5-6,8,11H,2-4,7,9,16H2,1H3;2*1H
InChIKeyPITDHHGKVNHNEK-UHFFFAOYSA-N
XLogP2.93
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride with MolForge

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Related Compounds

[2-(aminomethyl)pyrrolidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119634678
N-ethyl-2-[1-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperidin-2-yl]acetamide
CID 146085668
(5-methylfuro[3,2-b]pyridin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603468
[2-(aminomethyl)azepan-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 116639875
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone;hydrochloride
CID 119468513
(5-methylfuro[3,2-b]pyridin-2-yl)-[2-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 138996158
[2-(aminomethyl)pyrrolidin-1-yl]-(5,6-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119631264
[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 116639926
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 124700748
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 124702462
3-(cyclohexylmethyl)-4-(5-methylfuro[3,2-b]pyridine-2-carbonyl)piperazin-2-one
CID 128862882
[4-(methylamino)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 119564041

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride?
The IUPAC name of [2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride (CID 119469805) is [2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride is Cc1ccc2oc(C(=O)N3CCCCC3CN)cc2n1.Cl.Cl.
What is the InChIKey of [2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride?
The InChIKey is PITDHHGKVNHNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.2ClH/c1-10-5-6-13-12(17-10)8-14(20-13)15(19)18-7-3-2-4-11(18)9-16;;/h5-6,8,11H,2-4,7,9,16H2,1H3;2*1H.
What are the key properties of [2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride?
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)piperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride is sourced from PubChem (CID 119469805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).