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

C22H23ClN2O2 — CID 3818651

IUPAC[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C22H23ClN2O2/c23-20-9-7-17(8-10-20)21(26)24-12-3-6-19(15-24)22(27)25-13-11-16-4-1-2-5-18(16)14-25/h1-2,4-5,7-10,19H,3,6,11-15H2
InChIKeyZLUNBVCXWQHWKZ-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.78
Rot. Bonds2

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

[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 3818651) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID3818651
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCCC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C22H23ClN2O2/c23-20-9-7-17(8-10-20)21(26)24-12-3-6-19(15-24)22(27)25-13-11-16-4-1-2-5-18(16)14-25/h1-2,4-5,7-10,19H,3,6,11-15H2
InChIKeyZLUNBVCXWQHWKZ-UHFFFAOYSA-N
XLogP3.78
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 ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 3818651) is [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCCC(C(=O)N2CCc3ccccc3C2)C1.
What is the InChIKey of [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is ZLUNBVCXWQHWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-20-9-7-17(8-10-20)21(26)24-12-3-6-19(15-24)22(27)25-13-11-16-4-1-2-5-18(16)14-25/h1-2,4-5,7-10,19H,3,6,11-15H2.
What are the key properties of [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 382.89 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorobenzoyl)piperidin-3-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 3818651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).