(5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione

C24H31F3N4O4 — CID 30853902

IUPAC(5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESC[C@@]1(C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C24H31F3N4O4/c1-23(21(33)31(22(34)28-23)10-9-29-11-13-35-14-12-29)18-5-7-30(8-6-18)20(32)16-17-3-2-4-19(15-17)24(25,26)27/h2-4,15,18H,5-14,16H2,1H3,(H,28,34)/t23-/m0/s1
InChIKeyGWLSMVFZGXUPPA-QHCPKHFHSA-N
MW496.53 g/mol
LogP2.13
Rot. Bonds6

About (5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione

(5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 30853902) has the molecular formula C24H31F3N4O4 and a molecular weight of 496.53 g/mol. Its IUPAC name is (5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID30853902
Molecular FormulaC24H31F3N4O4
Molecular Weight496.53 g/mol
Exact Mass496.23
IUPAC Name(5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESC[C@@]1(C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CCN2CCOCC2)C1=O
InChIInChI=1S/C24H31F3N4O4/c1-23(21(33)31(22(34)28-23)10-9-29-11-13-35-14-12-29)18-5-7-30(8-6-18)20(32)16-17-3-2-4-19(15-17)24(25,26)27/h2-4,15,18H,5-14,16H2,1H3,(H,28,34)/t23-/m0/s1
InChIKeyGWLSMVFZGXUPPA-QHCPKHFHSA-N
XLogP2.13
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-methyl-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45248339
1-(4-methylpiperidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 78768057
5-[1-[3-(2,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(2-morpholin-4-ylethyl)imidazolidine-2,4-dione
CID 74583942
2-morpholin-4-yl-1-[4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]ethanone
CID 91651791
1-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 51968428
1-(4-acetyl-1,4-diazepan-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 134061591
1-(3-aminopyrrolidin-1-yl)-2-[3-(trifluoromethyl)phenyl]ethanone;hydrochloride
CID 119482994
5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 45174615
1-(2-ethylmorpholin-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
CID 91790975
1-[2-methyl-1-(3-morpholin-4-ylpropyl)pyrrol-3-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 159563312
(5S)-7-methyl-2-[2-[3-(trifluoromethyl)phenyl]acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97113122
5-(4-fluorophenyl)-5-methyl-3-[2-oxo-2-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 46516528

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 30853902) is (5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione is C[C@@]1(C2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CCN2CCOCC2)C1=O.
What is the InChIKey of (5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is GWLSMVFZGXUPPA-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H31F3N4O4/c1-23(21(33)31(22(34)28-23)10-9-29-11-13-35-14-12-29)18-5-7-30(8-6-18)20(32)16-17-3-2-4-19(15-17)24(25,26)27/h2-4,15,18H,5-14,16H2,1H3,(H,28,34)/t23-/m0/s1.
What are the key properties of (5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 496.53 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-3-(2-morpholin-4-ylethyl)-5-[1-[2-[3-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 30853902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).