3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone

C22H23FN2O2 — CID 3694715

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C22H23FN2O2/c23-20-10-4-3-9-19(20)22(27)24-12-5-8-18(15-24)21(26)25-13-11-16-6-1-2-7-17(16)14-25/h1-4,6-7,9-10,18H,5,8,11-15H2
InChIKeyKVXMYPWFHUNBFR-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.26
Rot. Bonds2

About 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone (PubChem CID 3694715) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone
PubChem CID3694715
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone
SMILESO=C(c1ccccc1F)N1CCCC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C22H23FN2O2/c23-20-10-4-3-9-19(20)22(27)24-12-5-8-18(15-24)21(26)25-13-11-16-6-1-2-7-17(16)14-25/h1-4,6-7,9-10,18H,5,8,11-15H2
InChIKeyKVXMYPWFHUNBFR-UHFFFAOYSA-N
XLogP3.26
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone (CID 3694715) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone is O=C(c1ccccc1F)N1CCCC(C(=O)N2CCc3ccccc3C2)C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone?
The InChIKey is KVXMYPWFHUNBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-20-10-4-3-9-19(20)22(27)24-12-5-8-18(15-24)21(26)25-13-11-16-6-1-2-7-17(16)14-25/h1-4,6-7,9-10,18H,5,8,11-15H2.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone has a molecular weight of 366.44 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-fluorobenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 3694715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).