N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide

C12H19N3O2 — CID 113281833

IUPACN-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C12H19N3O2/c1-2-6-13-9-11(16)14-10-12(17)15-7-4-3-5-8-15/h1,13H,3-10H2,(H,14,16)
InChIKeyCCJBYFJRYVFVIW-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.66
Rot. Bonds5

About N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide

N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 113281833) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide
PubChem CID113281833
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)NCC(=O)N1CCCCC1
InChIInChI=1S/C12H19N3O2/c1-2-6-13-9-11(16)14-10-12(17)15-7-4-3-5-8-15/h1,13H,3-10H2,(H,14,16)
InChIKeyCCJBYFJRYVFVIW-UHFFFAOYSA-N
XLogP-0.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-oxo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]butanoate
CID 110712317
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235197
N-[2-(azocan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 86828606
3-amino-N-(2-oxo-2-piperidin-1-ylethyl)butanamide
CID 115738358
N-[2-(azepan-1-yl)-2-oxoethyl]pentanamide
CID 112995931
N-[2-(methylamino)-2-oxoethyl]-2-(prop-2-ynylamino)acetamide
CID 78912839
2-(1-aminocyclobutyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 112701652
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79287387
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(prop-2-ynylamino)ethanone
CID 79286675
N-butyl-2-[(2-oxo-2-piperidin-1-ylethyl)amino]acetamide
CID 112685302
1-(4-ethylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 79286950
2-[(2-oxo-2-piperidin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 43402015

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide (CID 113281833) is N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)NCC(=O)N1CCCCC1.
What is the InChIKey of N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is CCJBYFJRYVFVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-6-13-9-11(16)14-10-12(17)15-7-4-3-5-8-15/h1,13H,3-10H2,(H,14,16).
What are the key properties of N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide?
N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 237.30 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-2-piperidin-1-ylethyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 113281833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).