[4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone

C24H22F4N2O — CID 58494547

IUPAC[4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2F)cc1)N1CCC(CC2=NC(C(F)(F)F)=CC2)CC1
InChIInChI=1S/C24H22F4N2O/c25-21-4-2-1-3-20(21)17-5-7-18(8-6-17)23(31)30-13-11-16(12-14-30)15-19-9-10-22(29-19)24(26,27)28/h1-8,10,16H,9,11-15H2
InChIKeyHUCCEQRTIRXRPR-UHFFFAOYSA-N
MW430.45 g/mol
LogP6.03
Rot. Bonds4

About [4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone

[4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 58494547) has the molecular formula C24H22F4N2O and a molecular weight of 430.45 g/mol. Its IUPAC name is [4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID58494547
Molecular FormulaC24H22F4N2O
Molecular Weight430.45 g/mol
Exact Mass430.17
IUPAC Name[4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2F)cc1)N1CCC(CC2=NC(C(F)(F)F)=CC2)CC1
InChIInChI=1S/C24H22F4N2O/c25-21-4-2-1-3-20(21)17-5-7-18(8-6-17)23(31)30-13-11-16(12-14-30)15-19-9-10-22(29-19)24(26,27)28/h1-8,10,16H,9,11-15H2
InChIKeyHUCCEQRTIRXRPR-UHFFFAOYSA-N
XLogP6.03
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.45
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-Benzylpiperidin-1-yl)(2-fluorophenyl)methanone
CID 667749
(4-Fluorophenyl)-(3-phenylpiperidin-1-yl)methanone
CID 2894533
2,4-difluoro-N-methyl-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}-4-piperidinyl)methyl]benzamide
CID 23723781
(4-(2,4-Difluorophenethyl)piperidin-1-yl)(2-fluorophenyl)methanone
CID 44411664
US10150767, Example 27
CID 137796661
US10150767, Example 28
CID 137796683
7-(2,4-difluorophenyl)-3-[(3R)-1-propanoylpyrrolidin-3-yl]-4H-isoquinolin-1-one
CID 146018704
Phenyl-[4-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
CID 24686751
1-(2-Fluorobenzoyl)-3-phenylpiperidine
CID 2894095
4-fluoro-N-methyl-N-[(1-{2-[3-(trifluoromethyl)phenyl]ethyl}-4-piperidinyl)methyl]benzamide
CID 23723374
(4-Phenylpiperidin-1-yl)-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]methanone
CID 39581222
(4-(4-Fluorobenzoyl)piperidin-1-yl)(4-(trifluoromethyl)phenyl)methanone
CID 46906318

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone (CID 58494547) is [4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone is O=C(c1ccc(-c2ccccc2F)cc1)N1CCC(CC2=NC(C(F)(F)F)=CC2)CC1.
What is the InChIKey of [4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is HUCCEQRTIRXRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O/c25-21-4-2-1-3-20(21)17-5-7-18(8-6-17)23(31)30-13-11-16(12-14-30)15-19-9-10-22(29-19)24(26,27)28/h1-8,10,16H,9,11-15H2.
What are the key properties of [4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone?
[4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 430.45 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)phenyl]-[4-[[5-(trifluoromethyl)-3H-pyrrol-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 58494547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).