(7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone

C15H17N3O — CID 82571688

IUPAC(7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone
SMILESNc1ccc2ccnc(C(=O)N3CCCCC3)c2c1
InChIInChI=1S/C15H17N3O/c16-12-5-4-11-6-7-17-14(13(11)10-12)15(19)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,16H2
InChIKeyFWFUAYQXJWVYES-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.44
Rot. Bonds1

About (7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone

(7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone (PubChem CID 82571688) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone
PubChem CID82571688
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone
SMILESNc1ccc2ccnc(C(=O)N3CCCCC3)c2c1
InChIInChI=1S/C15H17N3O/c16-12-5-4-11-6-7-17-14(13(11)10-12)15(19)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,16H2
InChIKeyFWFUAYQXJWVYES-UHFFFAOYSA-N
XLogP2.44
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone?
The IUPAC name of (7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone (CID 82571688) is (7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone is Nc1ccc2ccnc(C(=O)N3CCCCC3)c2c1.
What is the InChIKey of (7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone?
The InChIKey is FWFUAYQXJWVYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-12-5-4-11-6-7-17-14(13(11)10-12)15(19)18-8-2-1-3-9-18/h4-7,10H,1-3,8-9,16H2.
What are the key properties of (7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone?
(7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone has a molecular weight of 255.32 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-aminoisoquinolin-1-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 82571688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).