(3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

C18H23F3N2O2 — CID 139712286

IUPAC(3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCOC1CCN(C[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C18H23F3N2O2/c1-25-16-7-9-22(10-8-16)12-13-6-11-23(17(13)24)15-4-2-14(3-5-15)18(19,20)21/h2-5,13,16H,6-12H2,1H3/t13-/m1/s1
InChIKeyDCMULSVFWWBIPC-CYBMUJFWSA-N
MW356.39 g/mol
LogP3.17
Rot. Bonds4

About (3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one

(3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (PubChem CID 139712286) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is (3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
PubChem CID139712286
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name(3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
SMILESCOC1CCN(C[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C18H23F3N2O2/c1-25-16-7-9-22(10-8-16)12-13-6-11-23(17(13)24)15-4-2-14(3-5-15)18(19,20)21/h2-5,13,16H,6-12H2,1H3/t13-/m1/s1
InChIKeyDCMULSVFWWBIPC-CYBMUJFWSA-N
XLogP3.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
(3R)-1-(4-chlorophenyl)-3-[[4-(methoxymethyl)piperazin-1-yl]methyl]pyrrolidin-2-one
CID 139922171
3-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one;hydrochloride
CID 22343561
3-[4-(hydroxymethyl)piperidin-1-yl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 111122665
1-[4-(4-methoxypiperidin-1-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71809702
4-methoxy-1-[4-methyl-4-[4-(trifluoromethyl)phenyl]hexan-2-yl]piperidine
CID 165134929
4-[(4-methoxypiperidin-1-yl)methyl]-3-(trifluoromethyl)aniline
CID 81118061
3-(2-methylsulfonylphenyl)sulfanyl-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 86970587
(3R)-1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 123360822
1-[4-(2-methoxypropan-2-yl)phenyl]-3-[(2-piperidin-1-ylphenyl)methyl]pyrrolidin-2-one
CID 123434168
4-[[(3S)-3-methoxypyrrolidin-1-yl]methyl]-5-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 139550677
(3S)-3-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 99807700

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one (CID 139712286) is (3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is COC1CCN(C[C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1.
What is the InChIKey of (3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
The InChIKey is DCMULSVFWWBIPC-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-25-16-7-9-22(10-8-16)12-13-6-11-23(17(13)24)15-4-2-14(3-5-15)18(19,20)21/h2-5,13,16H,6-12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one?
(3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one has a molecular weight of 356.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-methoxypiperidin-1-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 139712286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).