4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide

C37H37F3N4O2 — CID 19705141

IUPAC4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C37H37F3N4O2/c38-37(39,40)25-42-35(46)36(31-14-6-4-12-29(31)30-13-5-7-15-32(30)36)19-8-9-21-44-22-17-28(18-23-44)43-34(45)33-24-27(16-20-41-33)26-10-2-1-3-11-26/h1-7,10-16,20,24,28H,8-9,17-19,21-23,25H2,(H,42,46)(H,43,45)
InChIKeyUUSZOJNQSOUPCC-UHFFFAOYSA-N
MW626.72 g/mol
LogP6.76
Rot. Bonds10

About 4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide

4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 19705141) has the molecular formula C37H37F3N4O2 and a molecular weight of 626.72 g/mol. Its IUPAC name is 4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide
PubChem CID19705141
Molecular FormulaC37H37F3N4O2
Molecular Weight626.72 g/mol
Exact Mass626.29
IUPAC Name4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C37H37F3N4O2/c38-37(39,40)25-42-35(46)36(31-14-6-4-12-29(31)30-13-5-7-15-32(30)36)19-8-9-21-44-22-17-28(18-23-44)43-34(45)33-24-27(16-20-41-33)26-10-2-1-3-11-26/h1-7,10-16,20,24,28H,8-9,17-19,21-23,25H2,(H,42,46)(H,43,45)
InChIKeyUUSZOJNQSOUPCC-UHFFFAOYSA-N
XLogP6.76
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide with MolForge

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Related Compounds

Jnj-31020028
CID 25134625
N-[4-[(5Z)-4,4-difluoro-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethylidene]-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide
CID 44520886
N-[4-[4-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
CID 25151875
2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one
CID 73673026
(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-2,5-dioxo-6-pentan-3-ylpiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide
CID 11547430
(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(1-ethylpropyl)-2,5-dioxo-1-piperazinyl]-N-methyl-2-(6-methyl-3-pyridinyl)ethanamide
CID 11576272
(2R)-2-[(2R,5R)-2-[(2S)-butan-2-yl]-5-(2,3-dihydro-1H-inden-2-yl)-3,6-dioxopiperazin-1-yl]-2-(4,6-dimethyl-3-pyridinyl)-N,N-dimethylacetamide
CID 11605341
(2R)-2-{(3R,6R)-3-(2,3-Dihydro-1H-inden-2-yl)-6-[(1S)-1-methylpropyl]-2,5-dioxo-1-piperazinyl}-2-(4,6-dimethyl-3-pyridinyl)-N-methylethanamide
CID 11669836
Cathepsin Inhibitor, Column 2 Row 2
CID 71463526
N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
CID 3205996
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-1-[(1R)-1-(6-methyl-3-pyridinyl)-2-oxo-2-pyrrolidin-1-ylethyl]piperazine-2,5-dione
CID 56949907
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethylpropyl)-3,6-dioxopiperazin-1-yl]-N,N-dimethyl-2-(6-methyl-3-pyridinyl)acetamide
CID 56950040

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide (CID 19705141) is 4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide is O=C(NC1CCN(CCCCC2(C(=O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is UUSZOJNQSOUPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37F3N4O2/c38-37(39,40)25-42-35(46)36(31-14-6-4-12-29(31)30-13-5-7-15-32(30)36)19-8-9-21-44-22-17-28(18-23-44)43-34(45)33-24-27(16-20-41-33)26-10-2-1-3-11-26/h1-7,10-16,20,24,28H,8-9,17-19,21-23,25H2,(H,42,46)(H,43,45).
What are the key properties of 4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide?
4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 626.72 g/mol, XLogP of 6.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 19705141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).