ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate

C14H25N3O3 — CID 102850177

IUPACethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H25N3O3/c1-2-20-13(19)16-12(18)9-17-8-4-6-14(11-17)5-3-7-15-10-14/h15H,2-11H2,1H3,(H,16,18,19)
InChIKeyLPKULXWERDZHBA-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.72
Rot. Bonds3

About ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate

ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate (PubChem CID 102850177) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate
PubChem CID102850177
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nameethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate
SMILESCCOC(=O)NC(=O)CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C14H25N3O3/c1-2-20-13(19)16-12(18)9-17-8-4-6-14(11-17)5-3-7-15-10-14/h15H,2-11H2,1H3,(H,16,18,19)
InChIKeyLPKULXWERDZHBA-UHFFFAOYSA-N
XLogP0.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-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-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate?
The IUPAC name of ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate (CID 102850177) is ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate.
What is the SMILES notation for ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate?
The canonical SMILES for ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate is CCOC(=O)NC(=O)CN1CCCC2(CCCNC2)C1.
What is the InChIKey of ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate?
The InChIKey is LPKULXWERDZHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-20-13(19)16-12(18)9-17-8-4-6-14(11-17)5-3-7-15-10-14/h15H,2-11H2,1H3,(H,16,18,19).
What are the key properties of ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate?
ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate has a molecular weight of 283.37 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(2,8-diazaspiro[5.5]undecan-2-yl)acetyl]carbamate is sourced from PubChem (CID 102850177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).