8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

About 8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 92688988) has the molecular formula C21H33N3O4 and a molecular weight of 391.51 g/mol. Its IUPAC name is 8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name	8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID	92688988
Molecular Formula	C21H33N3O4
Molecular Weight	391.51 g/mol
Exact Mass	391.25
IUPAC Name	8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILES	CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCN1CCCC[C@@H]1C
InChI	InChI=1S/C21H33N3O4/c1-15-7-4-5-11-23(15)12-6-10-22-19(26)18-16(2)20(27)28-21(18)8-13-24(14-9-21)17(3)25/h15H,4-14H2,1-3H3,(H,22,26)/t15-/m0/s1
InChIKey	GYVVKZOGTHLTRZ-HNNXBMFYSA-N
XLogP	1.62
TPSA	78.95 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.51
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?

The IUPAC name of 8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 92688988) is 8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

What is the SMILES notation for 8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?

The canonical SMILES for 8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CC(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCCN1CCCC[C@@H]1C.

What is the InChIKey of 8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?

The InChIKey is GYVVKZOGTHLTRZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H33N3O4/c1-15-7-4-5-11-23(15)12-6-10-22-19(26)18-16(2)20(27)28-21(18)8-13-24(14-9-21)17(3)25/h15H,4-14H2,1-3H3,(H,22,26)/t15-/m0/s1.

What are the key properties of 8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?

8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-acetyl-3-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 92688988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).