N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide

C26H30F3N3O2 — CID 10277064

IUPACN-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide
SMILESO=C(NCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)C1CCNCC1
InChIInChI=1S/C26H30F3N3O2/c27-26(28,29)17-32-24(34)25(13-5-6-14-31-23(33)18-11-15-30-16-12-18)21-9-3-1-7-19(21)20-8-2-4-10-22(20)25/h1-4,7-10,18,30H,5-6,11-17H2,(H,31,33)(H,32,34)
InChIKeyLSQRBDSACMRMOT-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.92
Rot. Bonds8

About N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide

N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide (PubChem CID 10277064) has the molecular formula C26H30F3N3O2 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide
PubChem CID10277064
Molecular FormulaC26H30F3N3O2
Molecular Weight473.54 g/mol
Exact Mass473.23
IUPAC NameN-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide
SMILESO=C(NCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)C1CCNCC1
InChIInChI=1S/C26H30F3N3O2/c27-26(28,29)17-32-24(34)25(13-5-6-14-31-23(33)18-11-15-30-16-12-18)21-9-3-1-7-19(21)20-8-2-4-10-22(20)25/h1-4,7-10,18,30H,5-6,11-17H2,(H,31,33)(H,32,34)
InChIKeyLSQRBDSACMRMOT-UHFFFAOYSA-N
XLogP3.92
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide (CID 10277064) is N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide is O=C(NCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)C1CCNCC1.
What is the InChIKey of N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide?
The InChIKey is LSQRBDSACMRMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O2/c27-26(28,29)17-32-24(34)25(13-5-6-14-31-23(33)18-11-15-30-16-12-18)21-9-3-1-7-19(21)20-8-2-4-10-22(20)25/h1-4,7-10,18,30H,5-6,11-17H2,(H,31,33)(H,32,34).
What are the key properties of N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide?
N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 10277064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).