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

C19H20Cl3N3O2 — CID 120801821

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
SMILESCc1ccc2oc(C(=O)N3CCNCC3c3cccc(Cl)c3)cc2n1.Cl.Cl
InChIInChI=1S/C19H18ClN3O2.2ClH/c1-12-5-6-17-15(22-12)10-18(25-17)19(24)23-8-7-21-11-16(23)13-3-2-4-14(20)9-13;;/h2-6,9-10,16,21H,7-8,11H2,1H3;2*1H
InChIKeyLKOWJKYGPBZYLZ-UHFFFAOYSA-N
MW428.75 g/mol
LogP4.42
Rot. Bonds2

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

[2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride (PubChem CID 120801821) has the molecular formula C19H20Cl3N3O2 and a molecular weight of 428.75 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
PubChem CID120801821
Molecular FormulaC19H20Cl3N3O2
Molecular Weight428.75 g/mol
Exact Mass427.06
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride
SMILESCc1ccc2oc(C(=O)N3CCNCC3c3cccc(Cl)c3)cc2n1.Cl.Cl
InChIInChI=1S/C19H18ClN3O2.2ClH/c1-12-5-6-17-15(22-12)10-18(25-17)19(24)23-8-7-21-11-16(23)13-3-2-4-14(20)9-13;;/h2-6,9-10,16,21H,7-8,11H2,1H3;2*1H
InChIKeyLKOWJKYGPBZYLZ-UHFFFAOYSA-N
XLogP4.42
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.75
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methylfuro[3,2-b]pyridin-2-yl)-(2-methylpiperazin-1-yl)methanone
CID 119473639
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 120801994
[2-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-2-pyrimidin-2-yl-1,3-thiazol-5-yl)methanone
CID 120801878
[2-(3-chlorophenyl)piperazin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 120801824
[2-(3-chlorophenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120802183
(3-butan-2-yl-1,2-oxazol-5-yl)-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803013
[2-(3-chlorophenyl)piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 120803370
[2-(3-chlorophenyl)piperazin-1-yl]-pyrazin-2-ylmethanone;dihydrochloride
CID 120802029
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]thiophene-2-carboxamide;hydrochloride
CID 120802549
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
[2-(3-chlorophenyl)piperazin-1-yl]-(2-methyl-5-nitrophenyl)methanone;hydrochloride
CID 120801969
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride (CID 120801821) is [2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride is Cc1ccc2oc(C(=O)N3CCNCC3c3cccc(Cl)c3)cc2n1.Cl.Cl.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride?
The InChIKey is LKOWJKYGPBZYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2.2ClH/c1-12-5-6-17-15(22-12)10-18(25-17)19(24)23-8-7-21-11-16(23)13-3-2-4-14(20)9-13;;/h2-6,9-10,16,21H,7-8,11H2,1H3;2*1H.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride?
[2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride has a molecular weight of 428.75 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone;dihydrochloride is sourced from PubChem (CID 120801821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).