(4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone

C27H24FNO — CID 14253325

IUPAC(4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(C2c3ccccc3C=Cc3ccccc32)CC1
InChIInChI=1S/C27H24FNO/c28-23-13-11-22(12-14-23)27(30)29-17-15-21(16-18-29)26-24-7-3-1-5-19(24)9-10-20-6-2-4-8-25(20)26/h1-14,21,26H,15-18H2
InChIKeyDGKHXXZSIMWUDT-UHFFFAOYSA-N
MW397.49 g/mol
LogP5.99
Rot. Bonds2

About (4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone

(4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone (PubChem CID 14253325) has the molecular formula C27H24FNO and a molecular weight of 397.49 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone
PubChem CID14253325
Molecular FormulaC27H24FNO
Molecular Weight397.49 g/mol
Exact Mass397.18
IUPAC Name(4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(C2c3ccccc3C=Cc3ccccc32)CC1
InChIInChI=1S/C27H24FNO/c28-23-13-11-22(12-14-23)27(30)29-17-15-21(16-18-29)26-24-7-3-1-5-19(24)9-10-20-6-2-4-8-25(20)26/h1-14,21,26H,15-18H2
InChIKeyDGKHXXZSIMWUDT-UHFFFAOYSA-N
XLogP5.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.49
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[(7R)-7-(2-chlorophenyl)-1,4-thiazepan-4-yl]-(4-fluorophenyl)methanone
CID 99884258
(4-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916416
(4-fluorophenyl)-[4-(4-methylanilino)piperidin-1-yl]methanone
CID 3936684
(4-fluorophenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 17369235
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 81483492
1-[4-(4-fluorophenoxy)benzoyl]piperidine-4-carboxylic acid
CID 45341289
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 43000155
[(1S)-1-phenylethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739997
(4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 90589559
(1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl)-(4-fluorophenyl)methanone
CID 121191859
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone (CID 14253325) is (4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCC(C2c3ccccc3C=Cc3ccccc32)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone?
The InChIKey is DGKHXXZSIMWUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FNO/c28-23-13-11-22(12-14-23)27(30)29-17-15-21(16-18-29)26-24-7-3-1-5-19(24)9-10-20-6-2-4-8-25(20)26/h1-14,21,26H,15-18H2.
What are the key properties of (4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone has a molecular weight of 397.49 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 14253325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).