3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione

C16H25N5O2 — CID 166117457

IUPAC3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione
SMILESCC(C)N1CCC(n2ccc(NC3CCC(=O)NC3=O)n2)CC1
InChIInChI=1S/C16H25N5O2/c1-11(2)20-8-5-12(6-9-20)21-10-7-14(19-21)17-13-3-4-15(22)18-16(13)23/h7,10-13H,3-6,8-9H2,1-2H3,(H,17,19)(H,18,22,23)
InChIKeyONOJFYWCQNAOMQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.15
Rot. Bonds4

About 3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione

3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione (PubChem CID 166117457) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione
PubChem CID166117457
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione
SMILESCC(C)N1CCC(n2ccc(NC3CCC(=O)NC3=O)n2)CC1
InChIInChI=1S/C16H25N5O2/c1-11(2)20-8-5-12(6-9-20)21-10-7-14(19-21)17-13-3-4-15(22)18-16(13)23/h7,10-13H,3-6,8-9H2,1-2H3,(H,17,19)(H,18,22,23)
InChIKeyONOJFYWCQNAOMQ-UHFFFAOYSA-N
XLogP1.15
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione (CID 166117457) is 3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione is CC(C)N1CCC(n2ccc(NC3CCC(=O)NC3=O)n2)CC1.
What is the InChIKey of 3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione?
The InChIKey is ONOJFYWCQNAOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-11(2)20-8-5-12(6-9-20)21-10-7-14(19-21)17-13-3-4-15(22)18-16(13)23/h7,10-13H,3-6,8-9H2,1-2H3,(H,17,19)(H,18,22,23).
What are the key properties of 3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione?
3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione has a molecular weight of 319.41 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1-propan-2-ylpiperidin-4-yl)pyrazol-3-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 166117457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).