4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide

C28H42N4O2 — CID 71202212

IUPAC4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CCN2C(=O)C(N3CCCCC3)=NC23CCC(C(C)(C)C)CC3)cc1
InChIInChI=1S/C28H42N4O2/c1-5-29-25(33)22-11-9-21(10-12-22)15-20-32-26(34)24(31-18-7-6-8-19-31)30-28(32)16-13-23(14-17-28)27(2,3)4/h9-12,23H,5-8,13-20H2,1-4H3,(H,29,33)
InChIKeyGGCXRTAFMPNOAN-UHFFFAOYSA-N
MW466.67 g/mol
LogP4.64
Rot. Bonds5

About 4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide

4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide (PubChem CID 71202212) has the molecular formula C28H42N4O2 and a molecular weight of 466.67 g/mol. Its IUPAC name is 4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide
PubChem CID71202212
Molecular FormulaC28H42N4O2
Molecular Weight466.67 g/mol
Exact Mass466.33
IUPAC Name4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CCN2C(=O)C(N3CCCCC3)=NC23CCC(C(C)(C)C)CC3)cc1
InChIInChI=1S/C28H42N4O2/c1-5-29-25(33)22-11-9-21(10-12-22)15-20-32-26(34)24(31-18-7-6-8-19-31)30-28(32)16-13-23(14-17-28)27(2,3)4/h9-12,23H,5-8,13-20H2,1-4H3,(H,29,33)
InChIKeyGGCXRTAFMPNOAN-UHFFFAOYSA-N
XLogP4.64
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.67
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide?
The IUPAC name of 4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide (CID 71202212) is 4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide?
The canonical SMILES for 4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CCN2C(=O)C(N3CCCCC3)=NC23CCC(C(C)(C)C)CC3)cc1.
What is the InChIKey of 4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide?
The InChIKey is GGCXRTAFMPNOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4O2/c1-5-29-25(33)22-11-9-21(10-12-22)15-20-32-26(34)24(31-18-7-6-8-19-31)30-28(32)16-13-23(14-17-28)27(2,3)4/h9-12,23H,5-8,13-20H2,1-4H3,(H,29,33).
What are the key properties of 4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide?
4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide has a molecular weight of 466.67 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-tert-butyl-3-oxo-2-piperidin-1-yl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]-N-ethylbenzamide is sourced from PubChem (CID 71202212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).