3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

C22H22ClF3N4O3 — CID 5300233

IUPAC3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(NC3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)C2=O)c1
InChIInChI=1S/C22H22ClF3N4O3/c1-33-16-4-2-3-15(10-16)30-19(31)11-18(21(30)32)28-14-5-7-29(8-6-14)20-17(23)9-13(12-27-20)22(24,25)26/h2-4,9-10,12,14,18,28H,5-8,11H2,1H3
InChIKeyDKRDYRWFZXUQFQ-UHFFFAOYSA-N
MW482.89 g/mol
LogP3.65
Rot. Bonds5

About 3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione

3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 5300233) has the molecular formula C22H22ClF3N4O3 and a molecular weight of 482.89 g/mol. Its IUPAC name is 3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID5300233
Molecular FormulaC22H22ClF3N4O3
Molecular Weight482.89 g/mol
Exact Mass482.13
IUPAC Name3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1cccc(N2C(=O)CC(NC3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)C2=O)c1
InChIInChI=1S/C22H22ClF3N4O3/c1-33-16-4-2-3-15(10-16)30-19(31)11-18(21(30)32)28-14-5-7-29(8-6-14)20-17(23)9-13(12-27-20)22(24,25)26/h2-4,9-10,12,14,18,28H,5-8,11H2,1H3
InChIKeyDKRDYRWFZXUQFQ-UHFFFAOYSA-N
XLogP3.65
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.89
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 24512302
(3R)-3-(cyclopentylamino)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,5-dione
CID 823725
1-(3-chloro-4-methylphenyl)-3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 24512308
3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 24512306
(3S)-3-(3,4-dichloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 51860115
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
N-[2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-5-(trifluoromethyl)phenyl]-3-methoxybenzamide
CID 3611768
(3R)-3-(2-chloroanilino)-1-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 98188137
1-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-3-(6-methoxy-3-pyridinyl)thiourea
CID 155541966
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(6-methoxy-3-pyridinyl)piperidine-4-carboxamide
CID 9210826
(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 822055
1-(3,4-dichlorophenyl)-3-(3-methoxyanilino)pyrrolidine-2,5-dione
CID 3928283

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione (CID 5300233) is 3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is COc1cccc(N2C(=O)CC(NC3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)C2=O)c1.
What is the InChIKey of 3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is DKRDYRWFZXUQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF3N4O3/c1-33-16-4-2-3-15(10-16)30-19(31)11-18(21(30)32)28-14-5-7-29(8-6-14)20-17(23)9-13(12-27-20)22(24,25)26/h2-4,9-10,12,14,18,28H,5-8,11H2,1H3.
What are the key properties of 3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione?
3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 482.89 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]amino]-1-(3-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 5300233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).