[(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C22H23ClN2O2 — CID 124758497

IUPAC[(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C([C@H]1CCCCN1C(=O)c1ccccc1)N1CCc2c(Cl)cccc2C1
InChIInChI=1S/C22H23ClN2O2/c23-19-10-6-9-17-15-24(14-12-18(17)19)22(27)20-11-4-5-13-25(20)21(26)16-7-2-1-3-8-16/h1-3,6-10,20H,4-5,11-15H2/t20-/m1/s1
InChIKeyYVTQUZCULBUFHO-HXUWFJFHSA-N
MW382.89 g/mol
LogP3.92
Rot. Bonds2

About [(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone

[(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 124758497) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is [(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID124758497
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name[(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C([C@H]1CCCCN1C(=O)c1ccccc1)N1CCc2c(Cl)cccc2C1
InChIInChI=1S/C22H23ClN2O2/c23-19-10-6-9-17-15-24(14-12-18(17)19)22(27)20-11-4-5-13-25(20)21(26)16-7-2-1-3-8-16/h1-3,6-10,20H,4-5,11-15H2/t20-/m1/s1
InChIKeyYVTQUZCULBUFHO-HXUWFJFHSA-N
XLogP3.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone with MolForge

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Related Compounds

(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-[1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]methanone
CID 155965108
(2S)-2-(5-phenyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidine-1-carboxylic acid
CID 135205275
[(2R)-1-(2,5-dichlorobenzoyl)pyrrolidin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 51937265
(9-amino-3-bicyclo[3.3.1]nonanyl)-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 120990503
(1-benzoylpyrrolidin-2-yl)-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]methanone
CID 112821649
(3-aminopiperidin-1-yl)-(1-benzoylpyrrolidin-2-yl)methanone
CID 119380930
(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 119779113
(1-benzoylpyrrolidin-2-yl)-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]methanone
CID 112837414
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
3-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-3-oxopropanoic acid
CID 122065637
(4-benzoylpiperazin-1-yl)-[2-(2-chlorobenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone
CID 112792124
1-benzoyl-N-(3-chloro-2-methylphenyl)pyrrolidine-2-carboxamide
CID 46756268

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 124758497) is [(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C([C@H]1CCCCN1C(=O)c1ccccc1)N1CCc2c(Cl)cccc2C1.
What is the InChIKey of [(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is YVTQUZCULBUFHO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-19-10-6-9-17-15-24(14-12-18(17)19)22(27)20-11-4-5-13-25(20)21(26)16-7-2-1-3-8-16/h1-3,6-10,20H,4-5,11-15H2/t20-/m1/s1.
What are the key properties of [(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 382.89 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 124758497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).