1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide

C34H36F3N3O3 — CID 10281984

IUPAC1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide
SMILESO=C(NCCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C34H36F3N3O3/c35-34(36,37)23-39-32(43)33(28-15-7-5-13-26(28)27-14-6-8-16-29(27)33)19-9-2-10-20-38-30(41)24-17-21-40(22-18-24)31(42)25-11-3-1-4-12-25/h1,3-8,11-16,24H,2,9-10,17-23H2,(H,38,41)(H,39,43)
InChIKeyMDVPLCWTFHELDA-UHFFFAOYSA-N
MW591.67 g/mol
LogP5.86
Rot. Bonds10

About 1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide

1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide (PubChem CID 10281984) has the molecular formula C34H36F3N3O3 and a molecular weight of 591.67 g/mol. Its IUPAC name is 1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide
PubChem CID10281984
Molecular FormulaC34H36F3N3O3
Molecular Weight591.67 g/mol
Exact Mass591.27
IUPAC Name1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide
SMILESO=C(NCCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C34H36F3N3O3/c35-34(36,37)23-39-32(43)33(28-15-7-5-13-26(28)27-14-6-8-16-29(27)33)19-9-2-10-20-38-30(41)24-17-21-40(22-18-24)31(42)25-11-3-1-4-12-25/h1,3-8,11-16,24H,2,9-10,17-23H2,(H,38,41)(H,39,43)
InChIKeyMDVPLCWTFHELDA-UHFFFAOYSA-N
XLogP5.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.67
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 9853053
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N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-3-(trifluoromethyl)benzamide
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CID 11786769
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CID 11844212
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CID 22293526
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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide (CID 10281984) is 1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide is O=C(NCCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide?
The InChIKey is MDVPLCWTFHELDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36F3N3O3/c35-34(36,37)23-39-32(43)33(28-15-7-5-13-26(28)27-14-6-8-16-29(27)33)19-9-2-10-20-38-30(41)24-17-21-40(22-18-24)31(42)25-11-3-1-4-12-25/h1,3-8,11-16,24H,2,9-10,17-23H2,(H,38,41)(H,39,43).
What are the key properties of 1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide?
1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide has a molecular weight of 591.67 g/mol, XLogP of 5.86, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentyl]piperidine-4-carboxamide is sourced from PubChem (CID 10281984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).