9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

C30H36F3N3O2 — CID 54288512

About 9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (PubChem CID 54288512) has the molecular formula C30H36F3N3O2 and a molecular weight of 527.63 g/mol. Its IUPAC name is 9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

Molecular Properties

• Compound Name: 9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
• PubChem CID: 54288512
• Molecular Formula: C30H36F3N3O2
• Molecular Weight: 527.63 g/mol
• Exact Mass: 527.28
• IUPAC Name: 9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
• SMILES: O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)C1CCC1
• InChI: InChI=1S/C30H36F3N3O2/c31-30(32,33)20-34-28(38)29(25-12-3-1-10-23(25)24-11-2-4-13-26(24)29)16-5-6-17-36-18-14-22(15-19-36)35-27(37)21-8-7-9-21/h1-4,10-13,21-22H,5-9,14-20H2,(H,34,38)(H,35,37)
• InChIKey: RVVYTYMUEIJOQG-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.63
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?

The IUPAC name of 9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (CID 54288512) is 9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

What is the SMILES notation for 9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?

The canonical SMILES for 9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)C1CCC1.

What is the InChIKey of 9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?

The InChIKey is RVVYTYMUEIJOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F3N3O2/c31-30(32,33)20-34-28(38)29(25-12-3-1-10-23(25)24-11-2-4-13-26(24)29)16-5-6-17-36-18-14-22(15-19-36)35-27(37)21-8-7-9-21/h1-4,10-13,21-22H,5-9,14-20H2,(H,34,38)(H,35,37).

What are the key properties of 9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?

9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide has a molecular weight of 527.63 g/mol, XLogP of 5.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-(cyclobutanecarbonylamino)piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is sourced from PubChem (CID 54288512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).