3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione

C12H18N2O2 — CID 118882236

IUPAC3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione
SMILESC#CCCCCN(C)C1CCC(=O)NC1=O
InChIInChI=1S/C12H18N2O2/c1-3-4-5-6-9-14(2)10-7-8-11(15)13-12(10)16/h1,10H,4-9H2,2H3,(H,13,15,16)
InChIKeyNFKXOYBZRJTVOE-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.53
Rot. Bonds5

About 3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione

3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione (PubChem CID 118882236) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione
PubChem CID118882236
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione
SMILESC#CCCCCN(C)C1CCC(=O)NC1=O
InChIInChI=1S/C12H18N2O2/c1-3-4-5-6-9-14(2)10-7-8-11(15)13-12(10)16/h1,10H,4-9H2,2H3,(H,13,15,16)
InChIKeyNFKXOYBZRJTVOE-UHFFFAOYSA-N
XLogP0.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-3-[2-(oct-7-ynylamino)-2-oxoethoxy]benzamide
CID 168946490
3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione
CID 130431885
3-[methyl-[3-(methylamino)propyl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313816
N-(2,6-dioxopiperidin-3-yl)-N-hydroxyacetamide
CID 145229496
N',N'-bis(2,6-dioxopiperidin-3-yl)octanediamide
CID 175152046
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde
CID 153393829
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-hydroxybenzaldehyde;ethane
CID 166469610
(3Z,5E)-3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-2-methyliminoocta-3,5-dienal
CID 166981356
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methylpent-3-enamide
CID 167136379
4-[3-aminopropyl(but-3-ynyl)amino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 171158456
3-[amino(3-aminopropyl)amino]pyrrolidine-2,5-dione;ethane
CID 144561873
5-but-3-ynylpyrrolidin-2-one
CID 15531515

Frequently Asked Questions

What is the IUPAC name of 3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione (CID 118882236) is 3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione is C#CCCCCN(C)C1CCC(=O)NC1=O.
What is the InChIKey of 3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione?
The InChIKey is NFKXOYBZRJTVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-4-5-6-9-14(2)10-7-8-11(15)13-12(10)16/h1,10H,4-9H2,2H3,(H,13,15,16).
What are the key properties of 3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione?
3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione has a molecular weight of 222.29 g/mol, XLogP of 0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hex-5-ynyl(methyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 118882236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).