1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one

C24H24F4N2O3 — CID 136576143

IUPAC1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one
SMILESCC1CN(C(=O)C2CCC(=O)N(c3cccc(F)c3)C2)CC(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C24H24F4N2O3/c1-15-12-29(14-21(33-15)16-4-2-5-18(10-16)24(26,27)28)23(32)17-8-9-22(31)30(13-17)20-7-3-6-19(25)11-20/h2-7,10-11,15,17,21H,8-9,12-14H2,1H3
InChIKeyCVBDNMDIHDIPET-UHFFFAOYSA-N
MW464.46 g/mol
LogP4.58
Rot. Bonds3

About 1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one

1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one (PubChem CID 136576143) has the molecular formula C24H24F4N2O3 and a molecular weight of 464.46 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one
PubChem CID136576143
Molecular FormulaC24H24F4N2O3
Molecular Weight464.46 g/mol
Exact Mass464.17
IUPAC Name1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one
SMILESCC1CN(C(=O)C2CCC(=O)N(c3cccc(F)c3)C2)CC(c2cccc(C(F)(F)F)c2)O1
InChIInChI=1S/C24H24F4N2O3/c1-15-12-29(14-21(33-15)16-4-2-5-18(10-16)24(26,27)28)23(32)17-8-9-22(31)30(13-17)20-7-3-6-19(25)11-20/h2-7,10-11,15,17,21H,8-9,12-14H2,1H3
InChIKeyCVBDNMDIHDIPET-UHFFFAOYSA-N
XLogP4.58
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 47023015
N-(2-fluorophenyl)-3-[2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 43065711
3-[2-(3,4-Difluorophenyl)morpholin-4-yl]-1-(2-fluorophenyl)pyrrolidin-2-one
CID 60303522
1-[4-(2,4-Difluorophenyl)piperazin-1-yl]-2-[(4-fluorophenyl)methoxy]propan-1-one
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1-[4-[3-Phenyl-4-[[3-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)phenyl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 57941157
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-5-(dimethylamino)pentanamide
CID 59777733
N-[[(2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-3-(dimethylamino)propanamide
CID 59777770
4-[3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]propyl-(4-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 87304981
(4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-2-oxopiperidin-1-ium-1-carboxylate
CID 87651757
(1-hexadecylpiperidin-4-yl)-[(3S,4R)-3-phenyl-4-[[3-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 87692396
(1-Hexadecylpiperidin-4-yl)-[3-phenyl-4-[[3-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 87692397
1-[4-[(3S,4R)-3-phenyl-4-[[3-(2,2,2-trifluoroethylamino)-5-(trifluoromethyl)phenyl]methoxy]piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 87915911

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one?
The IUPAC name of 1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one (CID 136576143) is 1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one?
The canonical SMILES for 1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one is CC1CN(C(=O)C2CCC(=O)N(c3cccc(F)c3)C2)CC(c2cccc(C(F)(F)F)c2)O1.
What is the InChIKey of 1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one?
The InChIKey is CVBDNMDIHDIPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N2O3/c1-15-12-29(14-21(33-15)16-4-2-5-18(10-16)24(26,27)28)23(32)17-8-9-22(31)30(13-17)20-7-3-6-19(25)11-20/h2-7,10-11,15,17,21H,8-9,12-14H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one?
1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one has a molecular weight of 464.46 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-5-[2-methyl-6-[3-(trifluoromethyl)phenyl]morpholine-4-carbonyl]piperidin-2-one is sourced from PubChem (CID 136576143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).