1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione

C27H27F3N4O3 — CID 177017566

IUPAC1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione
SMILESCc1c(N2CCC(=O)NC2=O)cnc2ccc(C3(O)CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc12
InChIInChI=1S/C27H27F3N4O3/c1-17-21-14-20(6-7-22(21)31-15-23(17)34-11-8-24(35)32-25(34)36)26(37)9-12-33(13-10-26)16-18-2-4-19(5-3-18)27(28,29)30/h2-7,14-15,37H,8-13,16H2,1H3,(H,32,35,36)
InChIKeyAWUHZTMYPZAXJW-UHFFFAOYSA-N
MW512.53 g/mol
LogP4.49
Rot. Bonds4

About 1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione

1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione (PubChem CID 177017566) has the molecular formula C27H27F3N4O3 and a molecular weight of 512.53 g/mol. Its IUPAC name is 1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione
PubChem CID177017566
Molecular FormulaC27H27F3N4O3
Molecular Weight512.53 g/mol
Exact Mass512.20
IUPAC Name1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione
SMILESCc1c(N2CCC(=O)NC2=O)cnc2ccc(C3(O)CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc12
InChIInChI=1S/C27H27F3N4O3/c1-17-21-14-20(6-7-22(21)31-15-23(17)34-11-8-24(35)32-25(34)36)26(37)9-12-33(13-10-26)16-18-2-4-19(5-3-18)27(28,29)30/h2-7,14-15,37H,8-13,16H2,1H3,(H,32,35,36)
InChIKeyAWUHZTMYPZAXJW-UHFFFAOYSA-N
XLogP4.49
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.53
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016029
3-[2-amino-6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177015909
3-[6-[8-hydroxy-5-[[4-(trifluoromethyl)phenyl]methyl]-5-azaspiro[2.5]octan-8-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177017213
3-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167293540
1-[6-[1-[[4-(trifluoromethyl)phenyl]methyl]-3,6-dihydro-2H-pyridin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
CID 177016228
1-[5-fluoro-6-[3-hydroxy-3-methyl-1-[[4-[1-(trifluoromethyl)cyclopropyl]phenyl]methyl]piperidin-4-yl]quinolin-3-yl]-1,3-diazinane-2,4-dione
CID 177015954
(3R)-3-[6-[(3R,4R)-3-fluoro-4-hydroxy-3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016682
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 80702504
3-[6-[3-ethyl-4-hydroxy-3-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016268
3-[6-[4-hydroxy-3-propyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177016170
3-[6-[4-hydroxy-3,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1,5-naphthyridin-3-yl]piperidine-2,6-dione
CID 177017616
3-[6-[2-acetyl-6-hydroxy-9-[[4-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[4.5]decan-6-yl]quinolin-3-yl]piperidine-2,6-dione
CID 177017333

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione (CID 177017566) is 1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione is Cc1c(N2CCC(=O)NC2=O)cnc2ccc(C3(O)CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc12.
What is the InChIKey of 1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione?
The InChIKey is AWUHZTMYPZAXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N4O3/c1-17-21-14-20(6-7-22(21)31-15-23(17)34-11-8-24(35)32-25(34)36)26(37)9-12-33(13-10-26)16-18-2-4-19(5-3-18)27(28,29)30/h2-7,14-15,37H,8-13,16H2,1H3,(H,32,35,36).
What are the key properties of 1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione?
1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione has a molecular weight of 512.53 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-hydroxy-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-4-methylquinolin-3-yl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 177017566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).