1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride

C21H30ClFN4O2 — CID 120880947

About 1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride

1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride (PubChem CID 120880947) has the molecular formula C21H30ClFN4O2 and a molecular weight of 424.95 g/mol. Its IUPAC name is 1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride.

Molecular Properties

• Compound Name: 1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride
• PubChem CID: 120880947
• Molecular Formula: C21H30ClFN4O2
• Molecular Weight: 424.95 g/mol
• Exact Mass: 424.20
• IUPAC Name: 1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride
• SMILES: Cl.O=C(Nc1ccc2c(c1F)CCNC2)C1CCCN(C(=O)NC2CCCC2)C1
• InChI: InChI=1S/C21H29FN4O2.ClH/c22-19-17-9-10-23-12-14(17)7-8-18(19)25-20(27)15-4-3-11-26(13-15)21(28)24-16-5-1-2-6-16;/h7-8,15-16,23H,1-6,9-13H2,(H,24,28)(H,25,27);1H
• InChIKey: GRXRJGRRAPPDOM-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 73.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.95
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride?

The IUPAC name of 1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride (CID 120880947) is 1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride.

What is the SMILES notation for 1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride?

The canonical SMILES for 1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1F)CCNC2)C1CCCN(C(=O)NC2CCCC2)C1.

What is the InChIKey of 1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride?

The InChIKey is GRXRJGRRAPPDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O2.ClH/c22-19-17-9-10-23-12-14(17)7-8-18(19)25-20(27)15-4-3-11-26(13-15)21(28)24-16-5-1-2-6-16;/h7-8,15-16,23H,1-6,9-13H2,(H,24,28)(H,25,27);1H.

What are the key properties of 1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride?

1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-cyclopentyl-3-N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)piperidine-1,3-dicarboxamide;hydrochloride is sourced from PubChem (CID 120880947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).