3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone

C22H27N3O2 — CID 146038984

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C)nc1N1CCC(C(=O)N2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H27N3O2/c1-16-7-8-20(27-2)21(23-16)24-12-10-18(11-13-24)22(26)25-14-9-17-5-3-4-6-19(17)15-25/h3-8,18H,9-15H2,1-2H3
InChIKeyMZYSHPCNYCELQL-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.20
Rot. Bonds3

About 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone (PubChem CID 146038984) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone
PubChem CID146038984
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C)nc1N1CCC(C(=O)N2CCc3ccccc3C2)CC1
InChIInChI=1S/C22H27N3O2/c1-16-7-8-20(27-2)21(23-16)24-12-10-18(11-13-24)22(26)25-14-9-17-5-3-4-6-19(17)15-25/h3-8,18H,9-15H2,1-2H3
InChIKeyMZYSHPCNYCELQL-UHFFFAOYSA-N
XLogP3.20
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone (CID 146038984) is 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone is COc1ccc(C)nc1N1CCC(C(=O)N2CCc3ccccc3C2)CC1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone?
The InChIKey is MZYSHPCNYCELQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-7-8-20(27-2)21(23-16)24-12-10-18(11-13-24)22(26)25-14-9-17-5-3-4-6-19(17)15-25/h3-8,18H,9-15H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[1-(3-methoxy-6-methyl-2-pyridinyl)piperidin-4-yl]methanone is sourced from PubChem (CID 146038984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).