(7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone

C20H18BrNO2 — CID 39581945

IUPAC(7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cc2cccc(Br)c2o1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H18BrNO2/c21-17-8-4-7-16-13-18(24-19(16)17)20(23)22-11-9-15(10-12-22)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2
InChIKeyPMPYXVTVTLBWPU-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.22
Rot. Bonds2

About (7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone

(7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone (PubChem CID 39581945) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is (7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone
PubChem CID39581945
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Name(7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone
SMILESO=C(c1cc2cccc(Br)c2o1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H18BrNO2/c21-17-8-4-7-16-13-18(24-19(16)17)20(23)22-11-9-15(10-12-22)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2
InChIKeyPMPYXVTVTLBWPU-UHFFFAOYSA-N
XLogP5.22
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminoazetidin-1-yl)-(7-bromo-1-benzofuran-2-yl)methanone
CID 65244577
1-(7-bromo-1-benzofuran-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102775821
1-benzofuran-2-yl-(4-thiophen-3-ylpiperidin-1-yl)methanone
CID 71786966
7-bromo-1-benzofuran-2-carboxamide
CID 47331810
1-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxamide
CID 60544490
(5-chloro-1,3,4-thiadiazol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 80625752
(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide
CID 55688262
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide
CID 83202941
(3-ethylphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 90124178
2-[1-(7-bromo-5-methyl-1-benzofuran-2-carbonyl)piperidin-4-yl]acetic acid
CID 120515414

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone (CID 39581945) is (7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone is O=C(c1cc2cccc(Br)c2o1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of (7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone?
The InChIKey is PMPYXVTVTLBWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/c21-17-8-4-7-16-13-18(24-19(16)17)20(23)22-11-9-15(10-12-22)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2.
What are the key properties of (7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone?
(7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone has a molecular weight of 384.27 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzofuran-2-yl)-(4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 39581945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).