2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

C19H32N4O4 — CID 97276430

IUPAC2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)[C@@H]3CN(C)CCN3C(=O)COC)CC2)CC1=O
InChIInChI=1S/C19H32N4O4/c1-4-21-14-19(11-16(21)24)5-7-22(8-6-19)18(26)15-12-20(2)9-10-23(15)17(25)13-27-3/h15H,4-14H2,1-3H3/t15-/m0/s1
InChIKeyASCIUTKDOIEXFH-HNNXBMFYSA-N
MW380.49 g/mol
LogP-0.36
Rot. Bonds4

About 2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97276430) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97276430
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Name2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(C(=O)[C@@H]3CN(C)CCN3C(=O)COC)CC2)CC1=O
InChIInChI=1S/C19H32N4O4/c1-4-21-14-19(11-16(21)24)5-7-22(8-6-19)18(26)15-12-20(2)9-10-23(15)17(25)13-27-3/h15H,4-14H2,1-3H3/t15-/m0/s1
InChIKeyASCIUTKDOIEXFH-HNNXBMFYSA-N
XLogP-0.36
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

methyl (2R)-2-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)piperidine-1-carboxylate
CID 97274984
2-methoxy-1-[4-methyl-2-[4-(3-methyl-2-pyridinyl)piperazine-1-carbonyl]piperazin-1-yl]ethanone
CID 72888763
2-(2-methoxyethyl)-8-(oxane-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896376
methyl (2S)-2-[2-(2-methylpropyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl]piperidine-1-carboxylate
CID 97206845
6-(2-methoxyacetyl)-6-azaspiro[3.4]octan-2-one
CID 139295195
8-(1,1-dioxo-3,4-dihydro-2H-1λ6,2-benzothiazine-3-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70753899
(5S)-5-(2-ethyl-3-oxo-2,8-diazaspiro[4.5]decane-8-carbonyl)-2,2-dimethylthiomorpholin-3-one
CID 97286093
8-[(1S)-2,3-dihydro-1H-indene-1-carbonyl]-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 95885398
2-ethyl-8-(2-pyrazin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72860043
2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72866242
8-(3,4-dihydro-2H-chromene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 72847937
2-ethyl-8-(2-methoxypyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70780066

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97276430) is 2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(C(=O)[C@@H]3CN(C)CCN3C(=O)COC)CC2)CC1=O.
What is the InChIKey of 2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ASCIUTKDOIEXFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H32N4O4/c1-4-21-14-19(11-16(21)24)5-7-22(8-6-19)18(26)15-12-20(2)9-10-23(15)17(25)13-27-3/h15H,4-14H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one?
2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 380.49 g/mol, XLogP of -0.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[(2S)-1-(2-methoxyacetyl)-4-methylpiperazine-2-carbonyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97276430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).