1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione

C14H19N3O2 — CID 55075292

IUPAC1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
SMILESCCCNc1ncccc1CN1C(=O)CCCC1=O
InChIInChI=1S/C14H19N3O2/c1-2-8-15-14-11(5-4-9-16-14)10-17-12(18)6-3-7-13(17)19/h4-5,9H,2-3,6-8,10H2,1H3,(H,15,16)
InChIKeyFBBSHVRZKMECDI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds5

About 1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione

1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione (PubChem CID 55075292) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
PubChem CID55075292
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione
SMILESCCCNc1ncccc1CN1C(=O)CCCC1=O
InChIInChI=1S/C14H19N3O2/c1-2-8-15-14-11(5-4-9-16-14)10-17-12(18)6-3-7-13(17)19/h4-5,9H,2-3,6-8,10H2,1H3,(H,15,16)
InChIKeyFBBSHVRZKMECDI-UHFFFAOYSA-N
XLogP1.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione?
The IUPAC name of 1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione (CID 55075292) is 1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione?
The canonical SMILES for 1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione is CCCNc1ncccc1CN1C(=O)CCCC1=O.
What is the InChIKey of 1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione?
The InChIKey is FBBSHVRZKMECDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-2-8-15-14-11(5-4-9-16-14)10-17-12(18)6-3-7-13(17)19/h4-5,9H,2-3,6-8,10H2,1H3,(H,15,16).
What are the key properties of 1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione?
1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione has a molecular weight of 261.32 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(propylamino)-3-pyridinyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 55075292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).