ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate

C13H25N3O4 — CID 79736925

IUPACethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1CCC(OCCCN)CC1
InChIInChI=1S/C13H25N3O4/c1-2-19-13(18)15-12(17)10-16-7-4-11(5-8-16)20-9-3-6-14/h11H,2-10,14H2,1H3,(H,15,17,18)
InChIKeyZMXRSPAMEHETFA-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.09
Rot. Bonds7

About ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate

ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate (PubChem CID 79736925) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate
PubChem CID79736925
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Nameethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1CCC(OCCCN)CC1
InChIInChI=1S/C13H25N3O4/c1-2-19-13(18)15-12(17)10-16-7-4-11(5-8-16)20-9-3-6-14/h11H,2-10,14H2,1H3,(H,15,17,18)
InChIKeyZMXRSPAMEHETFA-UHFFFAOYSA-N
XLogP0.09
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]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 ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate?
The IUPAC name of ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate (CID 79736925) is ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate?
The canonical SMILES for ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate is CCOC(=O)NC(=O)CN1CCC(OCCCN)CC1.
What is the InChIKey of ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate?
The InChIKey is ZMXRSPAMEHETFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-2-19-13(18)15-12(17)10-16-7-4-11(5-8-16)20-9-3-6-14/h11H,2-10,14H2,1H3,(H,15,17,18).
What are the key properties of ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate?
ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate has a molecular weight of 287.36 g/mol, XLogP of 0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[4-(3-aminopropoxy)piperidin-1-yl]acetyl]carbamate is sourced from PubChem (CID 79736925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).