N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide

C11H19N3O2 — CID 565272

IUPACN'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC1CCNCC1
InChIInChI=1S/C11H19N3O2/c1-2-5-13-10(15)11(16)14-8-9-3-6-12-7-4-9/h2,9,12H,1,3-8H2,(H,13,15)(H,14,16)
InChIKeyFXBAAOMKKFTJAR-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.60
Rot. Bonds4

About N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide

N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide (PubChem CID 565272) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide
PubChem CID565272
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC1CCNCC1
InChIInChI=1S/C11H19N3O2/c1-2-5-13-10(15)11(16)14-8-9-3-6-12-7-4-9/h2,9,12H,1,3-8H2,(H,13,15)(H,14,16)
InChIKeyFXBAAOMKKFTJAR-UHFFFAOYSA-N
XLogP-0.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide?
The IUPAC name of N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide (CID 565272) is N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide.
What is the SMILES notation for N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide?
The canonical SMILES for N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCC1CCNCC1.
What is the InChIKey of N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide?
The InChIKey is FXBAAOMKKFTJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-2-5-13-10(15)11(16)14-8-9-3-6-12-7-4-9/h2,9,12H,1,3-8H2,(H,13,15)(H,14,16).
What are the key properties of N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide?
N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide has a molecular weight of 225.29 g/mol, XLogP of -0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(piperidin-4-ylmethyl)-N-prop-2-enyloxamide is sourced from PubChem (CID 565272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).