prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate

C10H18N2O2 — CID 58676225

IUPACprop-2-enyl N-(1-methylpiperidin-4-yl)carbamate
SMILESC=CCOC(=O)NC1CCN(C)CC1
InChIInChI=1S/C10H18N2O2/c1-3-8-14-10(13)11-9-4-6-12(2)7-5-9/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyCZPXBWVOMXWUDY-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.99
Rot. Bonds3

About prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate

prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate (PubChem CID 58676225) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(1-methylpiperidin-4-yl)carbamate
PubChem CID58676225
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameprop-2-enyl N-(1-methylpiperidin-4-yl)carbamate
SMILESC=CCOC(=O)NC1CCN(C)CC1
InChIInChI=1S/C10H18N2O2/c1-3-8-14-10(13)11-9-4-6-12(2)7-5-9/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyCZPXBWVOMXWUDY-UHFFFAOYSA-N
XLogP0.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate?
The IUPAC name of prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate (CID 58676225) is prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate.
What is the SMILES notation for prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate?
The canonical SMILES for prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate is C=CCOC(=O)NC1CCN(C)CC1.
What is the InChIKey of prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate?
The InChIKey is CZPXBWVOMXWUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-8-14-10(13)11-9-4-6-12(2)7-5-9/h3,9H,1,4-8H2,2H3,(H,11,13).
What are the key properties of prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate?
prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate has a molecular weight of 198.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(1-methylpiperidin-4-yl)carbamate is sourced from PubChem (CID 58676225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).