2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide

C26H29N3O — CID 129423269

About 2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide

2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide (PubChem CID 129423269) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide
• PubChem CID: 129423269
• Molecular Formula: C26H29N3O
• Molecular Weight: 399.54 g/mol
• Exact Mass: 399.23
• IUPAC Name: 2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide
• SMILES: C[C@H]1CCCN(c2cc(C(=O)N[C@H]3CCCc4ccccc43)c3ccccc3n2)C1
• InChI: InChI=1S/C26H29N3O/c1-18-8-7-15-29(17-18)25-16-22(21-12-4-5-13-24(21)27-25)26(30)28-23-14-6-10-19-9-2-3-11-20(19)23/h2-5,9,11-13,16,18,23H,6-8,10,14-15,17H2,1H3,(H,28,30)/t18-,23-/m0/s1
• InChIKey: UKSTYYJFVNNQLF-MBSDFSHPSA-N
• XLogP: 5.28
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	399.54
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide?

The IUPAC name of 2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide (CID 129423269) is 2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide.

What is the SMILES notation for 2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide?

The canonical SMILES for 2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide is C[C@H]1CCCN(c2cc(C(=O)N[C@H]3CCCc4ccccc43)c3ccccc3n2)C1.

What is the InChIKey of 2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide?

The InChIKey is UKSTYYJFVNNQLF-MBSDFSHPSA-N. The full InChI is InChI=1S/C26H29N3O/c1-18-8-7-15-29(17-18)25-16-22(21-12-4-5-13-24(21)27-25)26(30)28-23-14-6-10-19-9-2-3-11-20(19)23/h2-5,9,11-13,16,18,23H,6-8,10,14-15,17H2,1H3,(H,28,30)/t18-,23-/m0/s1.

What are the key properties of 2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide?

2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide is sourced from PubChem (CID 129423269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).