2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one

C21H25F3N4O2 — CID 136764145

IUPAC2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESO=c1cc([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C21H25F3N4O2/c22-21(23,24)17-5-1-3-15(11-17)13-27-6-2-4-16(14-27)18-12-19(29)26-20(25-18)28-7-9-30-10-8-28/h1,3,5,11-12,16H,2,4,6-10,13-14H2,(H,25,26,29)/t16-/m1/s1
InChIKeyVZJWIMBQOFLRRV-MRXNPFEDSA-N
MW422.45 g/mol
LogP3.00
Rot. Bonds4

About 2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one

2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136764145) has the molecular formula C21H25F3N4O2 and a molecular weight of 422.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136764145
Molecular FormulaC21H25F3N4O2
Molecular Weight422.45 g/mol
Exact Mass422.19
IUPAC Name2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
SMILESO=c1cc([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C21H25F3N4O2/c22-21(23,24)17-5-1-3-15(11-17)13-27-6-2-4-16(14-27)18-12-19(29)26-20(25-18)28-7-9-30-10-8-28/h1,3,5,11-12,16H,2,4,6-10,13-14H2,(H,25,26,29)/t16-/m1/s1
InChIKeyVZJWIMBQOFLRRV-MRXNPFEDSA-N
XLogP3.00
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-yl-4-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136673603
4-[(3R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136850408
4-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136681420
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 24904811
2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 135963374
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
3-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 63386578
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
2-morpholin-4-yl-4-[(3R)-1-[(3S)-3-phenylbutyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 137061511
4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136765877
4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136821065
2-methyl-4-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136782802

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one (CID 136764145) is 2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one is O=c1cc([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2)nc(N2CCOCC2)[nH]1.
What is the InChIKey of 2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is VZJWIMBQOFLRRV-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25F3N4O2/c22-21(23,24)17-5-1-3-15(11-17)13-27-6-2-4-16(14-27)18-12-19(29)26-20(25-18)28-7-9-30-10-8-28/h1,3,5,11-12,16H,2,4,6-10,13-14H2,(H,25,26,29)/t16-/m1/s1.
What are the key properties of 2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one?
2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 422.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-4-[(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136764145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).