N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide

C10H17N3O2 — CID 79280048

IUPACN-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCC(=O)NC1
InChIInChI=1S/C10H17N3O2/c1-2-5-11-7-10(15)13-8-3-4-9(14)12-6-8/h2,8,11H,1,3-7H2,(H,12,14)(H,13,15)
InChIKeyAVVHFYMIZKWQIB-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.84
Rot. Bonds5

About N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide

N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 79280048) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
PubChem CID79280048
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCC(=O)NC1
InChIInChI=1S/C10H17N3O2/c1-2-5-11-7-10(15)13-8-3-4-9(14)12-6-8/h2,8,11H,1,3-7H2,(H,12,14)(H,13,15)
InChIKeyAVVHFYMIZKWQIB-UHFFFAOYSA-N
XLogP-0.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide (CID 79280048) is N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC1CCC(=O)NC1.
What is the InChIKey of N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is AVVHFYMIZKWQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-5-11-7-10(15)13-8-3-4-9(14)12-6-8/h2,8,11H,1,3-7H2,(H,12,14)(H,13,15).
What are the key properties of N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide?
N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide has a molecular weight of 211.26 g/mol, XLogP of -0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79280048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).