3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione

C17H24F3N5O2 — CID 166117683

IUPAC3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione
SMILESCC(C)Nc1cnn(C2CCN(C3CCC(=O)NC3=O)CC2)c1C(F)(F)F
InChIInChI=1S/C17H24F3N5O2/c1-10(2)22-12-9-21-25(15(12)17(18,19)20)11-5-7-24(8-6-11)13-3-4-14(26)23-16(13)27/h9-11,13,22H,3-8H2,1-2H3,(H,23,26,27)
InChIKeyZBXBFXGFVCGQBH-UHFFFAOYSA-N
MW387.41 g/mol
LogP2.16
Rot. Bonds4

About 3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione

3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione (PubChem CID 166117683) has the molecular formula C17H24F3N5O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is 3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione
PubChem CID166117683
Molecular FormulaC17H24F3N5O2
Molecular Weight387.41 g/mol
Exact Mass387.19
IUPAC Name3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione
SMILESCC(C)Nc1cnn(C2CCN(C3CCC(=O)NC3=O)CC2)c1C(F)(F)F
InChIInChI=1S/C17H24F3N5O2/c1-10(2)22-12-9-21-25(15(12)17(18,19)20)11-5-7-24(8-6-11)13-3-4-14(26)23-16(13)27/h9-11,13,22H,3-8H2,1-2H3,(H,23,26,27)
InChIKeyZBXBFXGFVCGQBH-UHFFFAOYSA-N
XLogP2.16
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione with MolForge

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Related Compounds

2-(4-cyclopentyl-3-oxopiperazin-1-yl)-N-(1,5-dimethylpyrazol-4-yl)acetamide
CID 46981183
5-[4-[[6-(ethylamino)-1-(trifluoromethyl)-2H-pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]-1-methylpiperidin-2-one
CID 177763188
3-[(1-Piperidin-4-ylpyrazol-4-yl)amino]piperidine-2,6-dione
CID 146573062
N-propyl-2-[4-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]piperidin-1-yl]acetamide
CID 36404384
N-(6-oxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 62896432
N-(2,6-dioxopiperidin-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 65955467
3-[4-[(2-Methylpyrazol-3-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75474218
(3R)-3-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97343955
(3S)-3-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97343956
N-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 102805804
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 110280475
N-[2-oxo-1-(2,2,2-trifluoroethyl)piperidin-3-yl]-1-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 120494306

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione (CID 166117683) is 3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione is CC(C)Nc1cnn(C2CCN(C3CCC(=O)NC3=O)CC2)c1C(F)(F)F.
What is the InChIKey of 3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione?
The InChIKey is ZBXBFXGFVCGQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N5O2/c1-10(2)22-12-9-21-25(15(12)17(18,19)20)11-5-7-24(8-6-11)13-3-4-14(26)23-16(13)27/h9-11,13,22H,3-8H2,1-2H3,(H,23,26,27).
What are the key properties of 3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione?
3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione has a molecular weight of 387.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(propan-2-ylamino)-5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 166117683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).