4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide

C16H19N3O2 — CID 58495745

IUPAC4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide
SMILESCOC1CCN(c2cncc3ccc(C(N)=O)cc23)CC1
InChIInChI=1S/C16H19N3O2/c1-21-13-4-6-19(7-5-13)15-10-18-9-12-3-2-11(16(17)20)8-14(12)15/h2-3,8-10,13H,4-7H2,1H3,(H2,17,20)
InChIKeySNLXQXUJWWWYJX-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.95
Rot. Bonds3

About 4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide

4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide (PubChem CID 58495745) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide.

Molecular Properties

Compound Name4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide
PubChem CID58495745
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide
SMILESCOC1CCN(c2cncc3ccc(C(N)=O)cc23)CC1
InChIInChI=1S/C16H19N3O2/c1-21-13-4-6-19(7-5-13)15-10-18-9-12-3-2-11(16(17)20)8-14(12)15/h2-3,8-10,13H,4-7H2,1H3,(H2,17,20)
InChIKeySNLXQXUJWWWYJX-UHFFFAOYSA-N
XLogP1.95
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide?
The IUPAC name of 4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide (CID 58495745) is 4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide.
What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide?
The canonical SMILES for 4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide is COC1CCN(c2cncc3ccc(C(N)=O)cc23)CC1.
What is the InChIKey of 4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide?
The InChIKey is SNLXQXUJWWWYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-13-4-6-19(7-5-13)15-10-18-9-12-3-2-11(16(17)20)8-14(12)15/h2-3,8-10,13H,4-7H2,1H3,(H2,17,20).
What are the key properties of 4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide?
4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxypiperidin-1-yl)isoquinoline-6-carboxamide is sourced from PubChem (CID 58495745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).