ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione

C17H29N3O2 — CID 170749748

IUPACethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione
SMILESCC.CC.CC(C)c1ccc(NC2CCC(=O)NC2=O)nc1
InChIInChI=1S/C13H17N3O2.2C2H6/c1-8(2)9-3-5-11(14-7-9)15-10-4-6-12(17)16-13(10)18;2*1-2/h3,5,7-8,10H,4,6H2,1-2H3,(H,14,15)(H,16,17,18);2*1-2H3
InChIKeyINHJEPCGOFHJMF-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.47
Rot. Bonds3

About ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione

ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione (PubChem CID 170749748) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione
PubChem CID170749748
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nameethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione
SMILESCC.CC.CC(C)c1ccc(NC2CCC(=O)NC2=O)nc1
InChIInChI=1S/C13H17N3O2.2C2H6/c1-8(2)9-3-5-11(14-7-9)15-10-4-6-12(17)16-13(10)18;2*1-2/h3,5,7-8,10H,4,6H2,1-2H3,(H,14,15)(H,16,17,18);2*1-2H3
InChIKeyINHJEPCGOFHJMF-UHFFFAOYSA-N
XLogP3.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749152
3-[(6-propan-2-ylpyridazin-3-yl)amino]piperidine-2,6-dione
CID 177356085
molecular hydrogen;3-(4-propan-2-ylanilino)piperidine-2,6-dione
CID 169188670
3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione
CID 164720806
3-[(1-propan-2-ylpyrazol-3-yl)amino]piperidine-2,6-dione
CID 164719881
N-(2,6-dioxopiperidin-3-yl)-2-fluoro-4-propan-2-ylbenzamide;ethane
CID 170749929
3-[[5-[4-(dimethoxymethyl)piperidin-1-yl]-2-pyridinyl]amino]piperidine-2,6-dione
CID 176705502
3-[(5-fluoro-6-propan-2-yl-3-pyridinyl)amino]piperidine-2,6-dione
CID 168793425
ethane;3-[[5-(1-propan-2-ylpiperidin-4-yl)pyrimidin-2-yl]amino]piperidine-2,6-dione
CID 166116797
2-[4-[6-[(2,6-dioxopiperidin-3-yl)amino]-3-pyridinyl]piperidin-1-yl]acetic acid
CID 171108561
ethane;3-(3-fluoro-4-propan-2-ylanilino)piperidine-2,6-dione
CID 170749603
3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 114565360

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione?
The IUPAC name of ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione (CID 170749748) is ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione.
What is the SMILES notation for ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione?
The canonical SMILES for ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione is CC.CC.CC(C)c1ccc(NC2CCC(=O)NC2=O)nc1.
What is the InChIKey of ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione?
The InChIKey is INHJEPCGOFHJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2.2C2H6/c1-8(2)9-3-5-11(14-7-9)15-10-4-6-12(17)16-13(10)18;2*1-2/h3,5,7-8,10H,4,6H2,1-2H3,(H,14,15)(H,16,17,18);2*1-2H3.
What are the key properties of ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione?
ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione has a molecular weight of 307.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(5-propan-2-yl-2-pyridinyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 170749748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).