1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

C20H21F3N4O3 — CID 126850997

IUPAC1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(Cn1ccc2ccccc21)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C20H21F3N4O3/c21-20(22,23)13-27-18(29)12-26(19(27)30)15-6-9-24(10-7-15)17(28)11-25-8-5-14-3-1-2-4-16(14)25/h1-5,8,15H,6-7,9-13H2
InChIKeyJRVHODHQUGIOPO-UHFFFAOYSA-N
MW422.41 g/mol
LogP2.46
Rot. Bonds4

About 1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione

1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (PubChem CID 126850997) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
PubChem CID126850997
Molecular FormulaC20H21F3N4O3
Molecular Weight422.41 g/mol
Exact Mass422.16
IUPAC Name1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
SMILESO=C(Cn1ccc2ccccc21)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1
InChIInChI=1S/C20H21F3N4O3/c21-20(22,23)13-27-18(29)12-26(19(27)30)15-6-9-24(10-7-15)17(28)11-25-8-5-14-3-1-2-4-16(14)25/h1-5,8,15H,6-7,9-13H2
InChIKeyJRVHODHQUGIOPO-UHFFFAOYSA-N
XLogP2.46
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-phenacylpiperidin-4-yl)-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126854984
2-indol-1-yl-1-pyrrolidin-1-ylethanone
CID 5191246
1-(2-indol-1-ylacetyl)piperidine-4-carbonitrile
CID 49061496
1-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 171136822
1-[1-[3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126850995
1-[1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126850998
2-indol-1-yl-1-thiomorpholin-4-ylethanone
CID 87040837
1-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 126852958
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-indol-1-ylethanone
CID 39338416
1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one
CID 56821754
2-indol-1-yl-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone
CID 124848062
1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-2-indol-1-ylethanone
CID 95759248

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The IUPAC name of 1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione (CID 126850997) is 1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The canonical SMILES for 1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is O=C(Cn1ccc2ccccc21)N1CCC(N2CC(=O)N(CC(F)(F)F)C2=O)CC1.
What is the InChIKey of 1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
The InChIKey is JRVHODHQUGIOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c21-20(22,23)13-27-18(29)12-26(19(27)30)15-6-9-24(10-7-15)17(28)11-25-8-5-14-3-1-2-4-16(14)25/h1-5,8,15H,6-7,9-13H2.
What are the key properties of 1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione?
1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione has a molecular weight of 422.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-indol-1-ylacetyl)piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 126850997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).