8-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

About 8-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide

8-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (PubChem CID 92688971) has the molecular formula C22H37N3O3 and a molecular weight of 391.56 g/mol. Its IUPAC name is 8-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

Molecular Properties

Compound Name	8-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
PubChem CID	92688971
Molecular Formula	C22H37N3O3
Molecular Weight	391.56 g/mol
Exact Mass	391.28
IUPAC Name	8-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide
SMILES	CC[C@@H]1CCCCN1CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2
InChI	InChI=1S/C22H37N3O3/c1-4-18-9-6-7-13-25(18)14-8-12-23-20(26)19-17(3)21(27)28-22(19)10-15-24(5-2)16-11-22/h18H,4-16H2,1-3H3,(H,23,26)/t18-/m1/s1
InChIKey	YPDBNJZKJBDEAH-GOSISDBHSA-N
XLogP	2.48
TPSA	61.88 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.56
LogP ≤ 5	2.48
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-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide?

The IUPAC name of 8-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide (CID 92688971) is 8-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide.

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

The canonical SMILES for 8-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is CC[C@@H]1CCCCN1CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2.

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

The InChIKey is YPDBNJZKJBDEAH-GOSISDBHSA-N. The full InChI is InChI=1S/C22H37N3O3/c1-4-18-9-6-7-13-25(18)14-8-12-23-20(26)19-17(3)21(27)28-22(19)10-15-24(5-2)16-11-22/h18H,4-16H2,1-3H3,(H,23,26)/t18-/m1/s1.

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

8-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide has a molecular weight of 391.56 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethyl-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-methyl-2-oxo-1-oxa-8-azaspiro[4.5]dec-3-ene-4-carboxamide is sourced from PubChem (CID 92688971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).