N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

C13H20N2O2 — CID 102455396

IUPACN-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESC#C[C@H](C)N(CC(=O)N1CCCCC1)C(C)=O
InChIInChI=1S/C13H20N2O2/c1-4-11(2)15(12(3)16)10-13(17)14-8-6-5-7-9-14/h1,11H,5-10H2,2-3H3/t11-/m0/s1
InChIKeyOUKSVFGKNQECEH-NSHDSACASA-N
MW236.31 g/mol
LogP0.87
Rot. Bonds3

About N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide

N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (PubChem CID 102455396) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
PubChem CID102455396
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
SMILESC#C[C@H](C)N(CC(=O)N1CCCCC1)C(C)=O
InChIInChI=1S/C13H20N2O2/c1-4-11(2)15(12(3)16)10-13(17)14-8-6-5-7-9-14/h1,11H,5-10H2,2-3H3/t11-/m0/s1
InChIKeyOUKSVFGKNQECEH-NSHDSACASA-N
XLogP0.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-ylacetamide
CID 113158106
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62332976
N-[2-(azepan-1-yl)-2-oxoethyl]-N-cyclohexylacetamide
CID 113159492
N-[2-(azepan-1-yl)-2-oxoethyl]-N-tert-butylacetamide
CID 113166142
N-cycloheptyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113166258
1-(azepan-1-yl)-2-[[(1S)-1-cyclopropylethyl]-methylamino]ethanone
CID 95588686
1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone
CID 95588688
2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
CID 60832959
2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 60963477
2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile
CID 60699941
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
CID 82938717

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide (CID 102455396) is N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is C#C[C@H](C)N(CC(=O)N1CCCCC1)C(C)=O.
What is the InChIKey of N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
The InChIKey is OUKSVFGKNQECEH-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O2/c1-4-11(2)15(12(3)16)10-13(17)14-8-6-5-7-9-14/h1,11H,5-10H2,2-3H3/t11-/m0/s1.
What are the key properties of N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide?
N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide has a molecular weight of 236.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-but-3-yn-2-yl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 102455396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).