1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione

C20H22F3N3O3 — CID 154852674

IUPAC1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione
SMILESO=C(c1cc(C2CC2)nc(C(F)(F)F)c1)N1CCC(N2C(=O)CCCC2=O)CC1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)16-11-13(10-15(24-16)12-4-5-12)19(29)25-8-6-14(7-9-25)26-17(27)2-1-3-18(26)28/h10-12,14H,1-9H2
InChIKeyOQTWLUBJAZCCRB-UHFFFAOYSA-N
MW409.41 g/mol
LogP3.12
Rot. Bonds3

About 1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione

1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione (PubChem CID 154852674) has the molecular formula C20H22F3N3O3 and a molecular weight of 409.41 g/mol. Its IUPAC name is 1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione
PubChem CID154852674
Molecular FormulaC20H22F3N3O3
Molecular Weight409.41 g/mol
Exact Mass409.16
IUPAC Name1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione
SMILESO=C(c1cc(C2CC2)nc(C(F)(F)F)c1)N1CCC(N2C(=O)CCCC2=O)CC1
InChIInChI=1S/C20H22F3N3O3/c21-20(22,23)16-11-13(10-15(24-16)12-4-5-12)19(29)25-8-6-14(7-9-25)26-17(27)2-1-3-18(26)28/h10-12,14H,1-9H2
InChIKeyOQTWLUBJAZCCRB-UHFFFAOYSA-N
XLogP3.12
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid;methyl 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylate
CID 162153894
1-[1-(3-fluorobenzoyl)piperidin-4-yl]pyrrolidine-2,5-dione
CID 113083054
1-[3-[4-(methylamino)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 119561222
1-[1-(1H-indole-5-carbonyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899305
[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
[4-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30864129
1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one
CID 166246481
6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one
CID 71890692
[3,5-bis(trifluoromethyl)phenyl]-[4-(3,5-diphenylpyrazol-1-yl)piperidin-1-yl]methanone
CID 46097776
1-[3-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]-5-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 86958202
2-[5-[2-(azetidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl]cyclooctyl]acetic acid
CID 156550005
1-[1-[4-(pyridin-4-ylmethylamino)benzoyl]piperidin-4-yl]pyrrolidin-2-one
CID 56880689

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione?
The IUPAC name of 1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione (CID 154852674) is 1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione.
What is the SMILES notation for 1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione?
The canonical SMILES for 1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione is O=C(c1cc(C2CC2)nc(C(F)(F)F)c1)N1CCC(N2C(=O)CCCC2=O)CC1.
What is the InChIKey of 1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione?
The InChIKey is OQTWLUBJAZCCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O3/c21-20(22,23)16-11-13(10-15(24-16)12-4-5-12)19(29)25-8-6-14(7-9-25)26-17(27)2-1-3-18(26)28/h10-12,14H,1-9H2.
What are the key properties of 1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione?
1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione has a molecular weight of 409.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl]piperidine-2,6-dione is sourced from PubChem (CID 154852674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).