1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone

C24H28F3N3O — CID 110249351

IUPAC1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1)N1CCCC1
InChIInChI=1S/C24H28F3N3O/c25-24(26,27)20-10-8-18(9-11-20)15-21-6-3-7-22(28-21)19-5-4-12-29(16-19)17-23(31)30-13-1-2-14-30/h3,6-11,19H,1-2,4-5,12-17H2
InChIKeyAKPIQCWATLJANA-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.49
Rot. Bonds5

About 1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone

1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 110249351) has the molecular formula C24H28F3N3O and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID110249351
Molecular FormulaC24H28F3N3O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC Name1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1)N1CCCC1
InChIInChI=1S/C24H28F3N3O/c25-24(26,27)20-10-8-18(9-11-20)15-21-6-3-7-22(28-21)19-5-4-12-29(16-19)17-23(31)30-13-1-2-14-30/h3,6-11,19H,1-2,4-5,12-17H2
InChIKeyAKPIQCWATLJANA-UHFFFAOYSA-N
XLogP4.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-4-yl-1-[(3S)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95809801
(1-methylpiperidin-4-yl)-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110250008
2-[3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249321
3-[(3R)-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 95810084
2-[3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 110249322
2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810474
N,N-dimethyl-2-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95809880
1-[(3S)-3-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95809788
(3R)-N,N-dimethyl-3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809670
2-pyrrolidin-1-yl-1-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 92615605
2-[(3S)-3-[6-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95809077
1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 92616487

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone (CID 110249351) is 1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone is O=C(CN1CCCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is AKPIQCWATLJANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O/c25-24(26,27)20-10-8-18(9-11-20)15-21-6-3-7-22(28-21)19-5-4-12-29(16-19)17-23(31)30-13-1-2-14-30/h3,6-11,19H,1-2,4-5,12-17H2.
What are the key properties of 1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 431.50 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110249351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).