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

C10H17N3O2 — CID 79278000

IUPACN-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCCNC1=O
InChIInChI=1S/C10H17N3O2/c1-2-5-11-7-9(14)13-8-4-3-6-12-10(8)15/h2,8,11H,1,3-7H2,(H,12,15)(H,13,14)
InChIKeyHFXDUXISNMOVQW-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.84
Rot. Bonds5

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

N-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide (PubChem CID 79278000) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
PubChem CID79278000
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCCNC1=O
InChIInChI=1S/C10H17N3O2/c1-2-5-11-7-9(14)13-8-4-3-6-12-10(8)15/h2,8,11H,1,3-7H2,(H,12,15)(H,13,14)
InChIKeyHFXDUXISNMOVQW-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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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280076
2-(2-methoxyethylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 79281089
N-(2-oxopiperidin-3-yl)prop-2-enamide
CID 62092726
2-(tert-butylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 49495846
6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
CID 55033636
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 61364815
N-cyclopropyl-2-[(2-oxopiperidin-3-yl)amino]acetamide
CID 62093607
2-(2-aminocyclohexyl)-N-(2-oxopiperidin-3-yl)acetamide
CID 62782706
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280048

Frequently Asked Questions

What is the IUPAC name of N-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide (CID 79278000) is N-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC1CCCNC1=O.
What is the InChIKey of N-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide?
The InChIKey is HFXDUXISNMOVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-5-11-7-9(14)13-8-4-3-6-12-10(8)15/h2,8,11H,1,3-7H2,(H,12,15)(H,13,14).
What are the key properties of N-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide?
N-(2-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-(2-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79278000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).