(2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

C17H21F3N2O — CID 87002556

IUPAC(2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCC(C(F)(F)F)C1)N1CCCC1c1ccncc1
InChIInChI=1S/C17H21F3N2O/c18-17(19,20)14-4-1-3-13(11-14)16(23)22-10-2-5-15(22)12-6-8-21-9-7-12/h6-9,13-15H,1-5,10-11H2
InChIKeyRGHCAZAMWOFBCQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP4.11
Rot. Bonds2

About (2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone

(2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 87002556) has the molecular formula C17H21F3N2O and a molecular weight of 326.36 g/mol. Its IUPAC name is (2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name(2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID87002556
Molecular FormulaC17H21F3N2O
Molecular Weight326.36 g/mol
Exact Mass326.16
IUPAC Name(2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCC(C(F)(F)F)C1)N1CCCC1c1ccncc1
InChIInChI=1S/C17H21F3N2O/c18-17(19,20)14-4-1-3-13(11-14)16(23)22-10-2-5-15(22)12-6-8-21-9-7-12/h6-9,13-15H,1-5,10-11H2
InChIKeyRGHCAZAMWOFBCQ-UHFFFAOYSA-N
XLogP4.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 100843589
[2-(aminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone;hydrochloride
CID 119632879
[(3S)-1-benzylpiperidin-3-yl]-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 98763268
(1-methylsulfonylpiperidin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764368
pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
(1-benzylpiperidin-4-yl)-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 94665195
(1-benzylpiperidin-4-yl)-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 94665196
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
(1-aminocyclopropyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 65465058

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of (2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone (CID 87002556) is (2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for (2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for (2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCC(C(F)(F)F)C1)N1CCCC1c1ccncc1.
What is the InChIKey of (2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is RGHCAZAMWOFBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O/c18-17(19,20)14-4-1-3-13(11-14)16(23)22-10-2-5-15(22)12-6-8-21-9-7-12/h6-9,13-15H,1-5,10-11H2.
What are the key properties of (2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone?
(2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 326.36 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-4-ylpyrrolidin-1-yl)-[3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 87002556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).