(4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone

C21H22ClNO2 — CID 26643165

IUPAC(4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone
SMILESO=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H22ClNO2/c22-18-6-7-19-17(13-18)14-20(25-19)21(24)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,20H,8-12,14H2/t20-/m0/s1
InChIKeyXGDDSDUGTSUIDZ-FQEVSTJZSA-N
MW355.87 g/mol
LogP4.12
Rot. Bonds3

About (4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone

(4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone (PubChem CID 26643165) has the molecular formula C21H22ClNO2 and a molecular weight of 355.87 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone
PubChem CID26643165
Molecular FormulaC21H22ClNO2
Molecular Weight355.87 g/mol
Exact Mass355.13
IUPAC Name(4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone
SMILESO=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H22ClNO2/c22-18-6-7-19-17(13-18)14-20(25-19)21(24)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,20H,8-12,14H2/t20-/m0/s1
InChIKeyXGDDSDUGTSUIDZ-FQEVSTJZSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-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 (4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone (CID 26643165) is (4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone is O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone?
The InChIKey is XGDDSDUGTSUIDZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22ClNO2/c22-18-6-7-19-17(13-18)14-20(25-19)21(24)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13,16,20H,8-12,14H2/t20-/m0/s1.
What are the key properties of (4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone?
(4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone has a molecular weight of 355.87 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[(2S)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]methanone is sourced from PubChem (CID 26643165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).