(5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone

C21H20BrNO3 — CID 97014745

IUPAC(5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc2cc(Br)ccc2o1)N1CCC([C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C21H20BrNO3/c22-17-6-7-18-16(12-17)13-19(26-18)21(25)23-10-8-15(9-11-23)20(24)14-4-2-1-3-5-14/h1-7,12-13,15,20,24H,8-11H2/t20-/m0/s1
InChIKeySSVYPKATBAAXAS-FQEVSTJZSA-N
MW414.30 g/mol
LogP4.78
Rot. Bonds3

About (5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone

(5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone (PubChem CID 97014745) has the molecular formula C21H20BrNO3 and a molecular weight of 414.30 g/mol. Its IUPAC name is (5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
PubChem CID97014745
Molecular FormulaC21H20BrNO3
Molecular Weight414.30 g/mol
Exact Mass413.06
IUPAC Name(5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
SMILESO=C(c1cc2cc(Br)ccc2o1)N1CCC([C@@H](O)c2ccccc2)CC1
InChIInChI=1S/C21H20BrNO3/c22-17-6-7-18-16(12-17)13-19(26-18)21(25)23-10-8-15(9-11-23)20(24)14-4-2-1-3-5-14/h1-7,12-13,15,20,24H,8-11H2/t20-/m0/s1
InChIKeySSVYPKATBAAXAS-FQEVSTJZSA-N
XLogP4.78
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(5-bromo-1-benzofuran-2-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 78865868
1-(5-bromo-1-benzofuran-2-carbonyl)piperidine-4-carbonitrile
CID 49062183
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 49264037
(5-bromo-1-benzofuran-2-yl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 52877254
(5-ethylfuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 38482077
(5-bromo-1-benzofuran-2-yl)-(1,4-diazepan-1-yl)methanone
CID 119414241
(6-bromo-1-benzofuran-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 84576723
(2R)-1-(5-bromo-1-benzofuran-2-carbonyl)pyrrolidine-2-carboxamide
CID 95118501
N-[1-(5-bromo-1-benzofuran-2-carbonyl)piperidin-4-yl]thiophene-2-sulfonamide
CID 46450714
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
benzyl 4-[(4-bromophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 71145589
SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
CID 126957561

Frequently Asked Questions

What is the IUPAC name of (5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone (CID 97014745) is (5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone is O=C(c1cc2cc(Br)ccc2o1)N1CCC([C@@H](O)c2ccccc2)CC1.
What is the InChIKey of (5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
The InChIKey is SSVYPKATBAAXAS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20BrNO3/c22-17-6-7-18-16(12-17)13-19(26-18)21(25)23-10-8-15(9-11-23)20(24)14-4-2-1-3-5-14/h1-7,12-13,15,20,24H,8-11H2/t20-/m0/s1.
What are the key properties of (5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone?
(5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone has a molecular weight of 414.30 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-1-benzofuran-2-yl)-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97014745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).