N-(4-prop-2-enylpiperidin-4-yl)acetamide

C10H18N2O — CID 70089546

IUPACN-(4-prop-2-enylpiperidin-4-yl)acetamide
SMILESC=CCC1(NC(C)=O)CCNCC1
InChIInChI=1S/C10H18N2O/c1-3-4-10(12-9(2)13)5-7-11-8-6-10/h3,11H,1,4-8H2,2H3,(H,12,13)
InChIKeyQTHVRGGTBCHTIR-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.82
Rot. Bonds3

About N-(4-prop-2-enylpiperidin-4-yl)acetamide

N-(4-prop-2-enylpiperidin-4-yl)acetamide (PubChem CID 70089546) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(4-prop-2-enylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-prop-2-enylpiperidin-4-yl)acetamide
PubChem CID70089546
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(4-prop-2-enylpiperidin-4-yl)acetamide
SMILESC=CCC1(NC(C)=O)CCNCC1
InChIInChI=1S/C10H18N2O/c1-3-4-10(12-9(2)13)5-7-11-8-6-10/h3,11H,1,4-8H2,2H3,(H,12,13)
InChIKeyQTHVRGGTBCHTIR-UHFFFAOYSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-prop-2-enylpiperidin-4-yl)acetamide?
The IUPAC name of N-(4-prop-2-enylpiperidin-4-yl)acetamide (CID 70089546) is N-(4-prop-2-enylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(4-prop-2-enylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(4-prop-2-enylpiperidin-4-yl)acetamide is C=CCC1(NC(C)=O)CCNCC1.
What is the InChIKey of N-(4-prop-2-enylpiperidin-4-yl)acetamide?
The InChIKey is QTHVRGGTBCHTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-4-10(12-9(2)13)5-7-11-8-6-10/h3,11H,1,4-8H2,2H3,(H,12,13).
What are the key properties of N-(4-prop-2-enylpiperidin-4-yl)acetamide?
N-(4-prop-2-enylpiperidin-4-yl)acetamide has a molecular weight of 182.27 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-2-enylpiperidin-4-yl)acetamide is sourced from PubChem (CID 70089546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).