(4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone

C21H21BrN2O2 — CID 71704801

IUPAC(4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone
SMILESCc1ncc(CN2CCCCC2)c2cc(C(=O)c3ccc(Br)cc3)oc12
InChIInChI=1S/C21H21BrN2O2/c1-14-21-18(16(12-23-14)13-24-9-3-2-4-10-24)11-19(26-21)20(25)15-5-7-17(22)8-6-15/h5-8,11-12H,2-4,9-10,13H2,1H3
InChIKeyAFXCWTHVWNFOOG-UHFFFAOYSA-N
MW413.32 g/mol
LogP5.12
Rot. Bonds4

About (4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone

(4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone (PubChem CID 71704801) has the molecular formula C21H21BrN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is (4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone
PubChem CID71704801
Molecular FormulaC21H21BrN2O2
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC Name(4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone
SMILESCc1ncc(CN2CCCCC2)c2cc(C(=O)c3ccc(Br)cc3)oc12
InChIInChI=1S/C21H21BrN2O2/c1-14-21-18(16(12-23-14)13-24-9-3-2-4-10-24)11-19(26-21)20(25)15-5-7-17(22)8-6-15/h5-8,11-12H,2-4,9-10,13H2,1H3
InChIKeyAFXCWTHVWNFOOG-UHFFFAOYSA-N
XLogP5.12
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.32
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone?
The IUPAC name of (4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone (CID 71704801) is (4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone is Cc1ncc(CN2CCCCC2)c2cc(C(=O)c3ccc(Br)cc3)oc12.
What is the InChIKey of (4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone?
The InChIKey is AFXCWTHVWNFOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2/c1-14-21-18(16(12-23-14)13-24-9-3-2-4-10-24)11-19(26-21)20(25)15-5-7-17(22)8-6-15/h5-8,11-12H,2-4,9-10,13H2,1H3.
What are the key properties of (4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone?
(4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone has a molecular weight of 413.32 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[7-methyl-4-(piperidin-1-ylmethyl)furo[2,3-c]pyridin-2-yl]methanone is sourced from PubChem (CID 71704801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).