(4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone

C29H30N2O — CID 17239257

About (4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone

(4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone (PubChem CID 17239257) has the molecular formula C29H30N2O and a molecular weight of 422.57 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone.

Molecular Properties

• Compound Name: (4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone
• PubChem CID: 17239257
• Molecular Formula: C29H30N2O
• Molecular Weight: 422.57 g/mol
• Exact Mass: 422.24
• IUPAC Name: (4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone
• SMILES: CC1CCN(C(=O)c2cccc3c2NC(c2cccc4ccccc24)C2CC=CC32)CC1
• InChI: InChI=1S/C29H30N2O/c1-19-15-17-31(18-16-19)29(32)26-14-6-13-25-22-10-5-12-24(22)27(30-28(25)26)23-11-4-8-20-7-2-3-9-21(20)23/h2-11,13-14,19,22,24,27,30H,12,15-18H2,1H3
• InChIKey: KJPIMBPWUYNIMQ-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.57
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone?

The IUPAC name of (4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone (CID 17239257) is (4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone.

What is the SMILES notation for (4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone?

The canonical SMILES for (4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone is CC1CCN(C(=O)c2cccc3c2NC(c2cccc4ccccc24)C2CC=CC32)CC1.

What is the InChIKey of (4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone?

The InChIKey is KJPIMBPWUYNIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O/c1-19-15-17-31(18-16-19)29(32)26-14-6-13-25-22-10-5-12-24(22)27(30-28(25)26)23-11-4-8-20-7-2-3-9-21(20)23/h2-11,13-14,19,22,24,27,30H,12,15-18H2,1H3.

What are the key properties of (4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone?

(4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone has a molecular weight of 422.57 g/mol, XLogP of 6.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methylpiperidin-1-yl)-(4-naphthalen-1-yl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl)methanone is sourced from PubChem (CID 17239257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).