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

C33H34F3N3O3 — CID 10210273

IUPAC1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide
SMILESO=C(NCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C33H34F3N3O3/c34-33(35,36)22-38-31(42)32(27-14-6-4-12-25(27)26-13-5-7-15-28(26)32)18-8-9-19-37-29(40)23-16-20-39(21-17-23)30(41)24-10-2-1-3-11-24/h1-7,10-15,23H,8-9,16-22H2,(H,37,40)(H,38,42)
InChIKeyHGQAWOBJNKYSMX-UHFFFAOYSA-N
MW577.65 g/mol
LogP5.47
Rot. Bonds9

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

1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide (PubChem CID 10210273) has the molecular formula C33H34F3N3O3 and a molecular weight of 577.65 g/mol. Its IUPAC name is 1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide
PubChem CID10210273
Molecular FormulaC33H34F3N3O3
Molecular Weight577.65 g/mol
Exact Mass577.26
IUPAC Name1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide
SMILESO=C(NCCCCC1(C(=O)NCC(F)(F)F)c2ccccc2-c2ccccc21)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C33H34F3N3O3/c34-33(35,36)22-38-31(42)32(27-14-6-4-12-25(27)26-13-5-7-15-28(26)32)18-8-9-19-37-29(40)23-16-20-39(21-17-23)30(41)24-10-2-1-3-11-24/h1-7,10-15,23H,8-9,16-22H2,(H,37,40)(H,38,42)
InChIKeyHGQAWOBJNKYSMX-UHFFFAOYSA-N
XLogP5.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.65
LogP ≤ 55.47
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

Lomitapide
CID 9853053
Lomitapide Mesylate
CID 11274333
Lomitapide metabolite M9
CID 44394967
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CID 54585226
4-fluoro-N-[[(2S)-1-(2-phenylbenzoyl)piperidin-2-yl]methyl]benzamide
CID 56683775
[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 489814
N-[[1-[6,6-bis(4-fluorophenyl)hexanoyl]pyrrolidin-3-yl]methyl]-4-tert-butylbenzamide
CID 11226573
N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-3-(trifluoromethyl)benzamide
CID 11410490
N-[[1-[6,6-bis(4-fluorophenyl)hexanoyl]pyrrolidin-3-yl]methyl]-3,5-ditert-butylbenzamide
CID 11786769
(2S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluorophenyl)-4-spiro[indene-1,4'-piperidine]-1'-ylbutanamide
CID 11844212
N-{4-[4-(4-Fluoro-phenyl)-piperidin-1-yl]-1-phenyl-cyclohexylmethyl}-3,5-bis-trifluoromethyl-benzamide
CID 22293526
N-(3-{2,3-dihydrospiro[indene-1,4''-piperidine]-1''-yl}propyl)-1-phenylcyclohexane-1-carboxamide
CID 44407013

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide (CID 10210273) is 1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-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)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide?
The InChIKey is HGQAWOBJNKYSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F3N3O3/c34-33(35,36)22-38-31(42)32(27-14-6-4-12-25(27)26-13-5-7-15-28(26)32)18-8-9-19-37-29(40)23-16-20-39(21-17-23)30(41)24-10-2-1-3-11-24/h1-7,10-15,23H,8-9,16-22H2,(H,37,40)(H,38,42).
What are the key properties of 1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide?
1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide has a molecular weight of 577.65 g/mol, XLogP of 5.47, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 10210273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).