prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate

C15H28N2O3 — CID 89153394

IUPACprop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate
SMILESC=C(C)OC(=O)NCCC1CCN(CCOCC)CC1
InChIInChI=1S/C15H28N2O3/c1-4-19-12-11-17-9-6-14(7-10-17)5-8-16-15(18)20-13(2)3/h14H,2,4-12H2,1,3H3,(H,16,18)
InChIKeyHHBSDRDDQQCWET-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.38
Rot. Bonds8

About prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate

prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate (PubChem CID 89153394) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nameprop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate
PubChem CID89153394
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameprop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate
SMILESC=C(C)OC(=O)NCCC1CCN(CCOCC)CC1
InChIInChI=1S/C15H28N2O3/c1-4-19-12-11-17-9-6-14(7-10-17)5-8-16-15(18)20-13(2)3/h14H,2,4-12H2,1,3H3,(H,16,18)
InChIKeyHHBSDRDDQQCWET-UHFFFAOYSA-N
XLogP2.38
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate?
The IUPAC name of prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate (CID 89153394) is prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate is C=C(C)OC(=O)NCCC1CCN(CCOCC)CC1.
What is the InChIKey of prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate?
The InChIKey is HHBSDRDDQQCWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-4-19-12-11-17-9-6-14(7-10-17)5-8-16-15(18)20-13(2)3/h14H,2,4-12H2,1,3H3,(H,16,18).
What are the key properties of prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate?
prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-2-yl N-[2-[1-(2-ethoxyethyl)piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 89153394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).