(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone

C22H22ClNO3 — CID 23723572

IUPAC(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
SMILESCc1cc(Cl)c2oc(C(=O)N3CCC(O)(c4ccccc4)CC3)c(C)c2c1
InChIInChI=1S/C22H22ClNO3/c1-14-12-17-15(2)19(27-20(17)18(23)13-14)21(25)24-10-8-22(26,9-11-24)16-6-4-3-5-7-16/h3-7,12-13,26H,8-11H2,1-2H3
InChIKeyHPGTZOYRBXTCJE-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.83
Rot. Bonds2

About (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone

(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone (PubChem CID 23723572) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
PubChem CID23723572
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
SMILESCc1cc(Cl)c2oc(C(=O)N3CCC(O)(c4ccccc4)CC3)c(C)c2c1
InChIInChI=1S/C22H22ClNO3/c1-14-12-17-15(2)19(27-20(17)18(23)13-14)21(25)24-10-8-22(26,9-11-24)16-6-4-3-5-7-16/h3-7,12-13,26H,8-11H2,1-2H3
InChIKeyHPGTZOYRBXTCJE-UHFFFAOYSA-N
XLogP4.83
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
The IUPAC name of (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone (CID 23723572) is (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone.
What is the SMILES notation for (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
The canonical SMILES for (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone is Cc1cc(Cl)c2oc(C(=O)N3CCC(O)(c4ccccc4)CC3)c(C)c2c1.
What is the InChIKey of (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
The InChIKey is HPGTZOYRBXTCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c1-14-12-17-15(2)19(27-20(17)18(23)13-14)21(25)24-10-8-22(26,9-11-24)16-6-4-3-5-7-16/h3-7,12-13,26H,8-11H2,1-2H3.
What are the key properties of (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone?
(7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone has a molecular weight of 383.88 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3,5-dimethyl-1-benzofuran-2-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone is sourced from PubChem (CID 23723572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).