1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone

C24H28F3N3O — CID 92616487

IUPAC1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1)N1CCCC1
InChIInChI=1S/C24H28F3N3O/c25-24(26,27)21-6-3-18(4-7-21)15-19-5-8-22(28-16-19)20-9-13-29(14-10-20)17-23(31)30-11-1-2-12-30/h3-8,16,20H,1-2,9-15,17H2
InChIKeyWQVLTIMFKQHHFJ-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.49
Rot. Bonds5

About 1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone

1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 92616487) has the molecular formula C24H28F3N3O and a molecular weight of 431.50 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
PubChem CID92616487
Molecular FormulaC24H28F3N3O
Molecular Weight431.50 g/mol
Exact Mass431.22
IUPAC Name1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1)N1CCCC1
InChIInChI=1S/C24H28F3N3O/c25-24(26,27)21-6-3-18(4-7-21)15-19-5-8-22(28-16-19)20-9-13-29(14-10-20)17-23(31)30-11-1-2-12-30/h3-8,16,20H,1-2,9-15,17H2
InChIKeyWQVLTIMFKQHHFJ-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-pyrrolidin-1-yl-1-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 92615605
1-[2-[4-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetyl]piperidine-4-carboxamide
CID 92616712
spiro[2.3]hexan-2-yl-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264157
N-[(2S)-1-methoxypropan-2-yl]-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 92616683
(4R)-1-methyl-4-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 92615288
1-pyrrolidin-1-yl-2-[3-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 110249351
cyclohexyl-[3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 110093302
1-piperidin-1-yl-2-[4-[6-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819607
2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 163349786
1-(azepan-1-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78788182
N,N-dimethyl-2-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 95809880
2-(dimethylamino)-1-[4-[6-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810474

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone (CID 92616487) is 1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone is O=C(CN1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is WQVLTIMFKQHHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O/c25-24(26,27)21-6-3-18(4-7-21)15-19-5-8-22(28-16-19)20-9-13-29(14-10-20)17-23(31)30-11-1-2-12-30/h3-8,16,20H,1-2,9-15,17H2.
What are the key properties of 1-pyrrolidin-1-yl-2-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone?
1-pyrrolidin-1-yl-2-[4-[5-[[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-[4-[5-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 92616487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).