N-(3-ethenyl-1-methylpiperidin-4-yl)acetamide

C10H18N2O — CID 135130715

IUPACN-(3-ethenyl-1-methylpiperidin-4-yl)acetamide
SMILESC=CC1CN(C)CCC1NC(C)=O
InChIInChI=1S/C10H18N2O/c1-4-9-7-12(3)6-5-10(9)11-8(2)13/h4,9-10H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyBOCAOCBNQZANTK-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.63
Rot. Bonds2

About N-(3-ethenyl-1-methylpiperidin-4-yl)acetamide

N-(3-ethenyl-1-methylpiperidin-4-yl)acetamide (PubChem CID 135130715) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(3-ethenyl-1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethenyl-1-methylpiperidin-4-yl)acetamide
PubChem CID135130715
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(3-ethenyl-1-methylpiperidin-4-yl)acetamide
SMILESC=CC1CN(C)CCC1NC(C)=O
InChIInChI=1S/C10H18N2O/c1-4-9-7-12(3)6-5-10(9)11-8(2)13/h4,9-10H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyBOCAOCBNQZANTK-UHFFFAOYSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
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-(3-ethenyl-1-methylpiperidin-4-yl)acetamide?
The IUPAC name of N-(3-ethenyl-1-methylpiperidin-4-yl)acetamide (CID 135130715) is N-(3-ethenyl-1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(3-ethenyl-1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(3-ethenyl-1-methylpiperidin-4-yl)acetamide is C=CC1CN(C)CCC1NC(C)=O.
What is the InChIKey of N-(3-ethenyl-1-methylpiperidin-4-yl)acetamide?
The InChIKey is BOCAOCBNQZANTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-9-7-12(3)6-5-10(9)11-8(2)13/h4,9-10H,1,5-7H2,2-3H3,(H,11,13).
What are the key properties of N-(3-ethenyl-1-methylpiperidin-4-yl)acetamide?
N-(3-ethenyl-1-methylpiperidin-4-yl)acetamide has a molecular weight of 182.27 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenyl-1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 135130715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).