2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one

C17H25N3O2 — CID 70755226

IUPAC2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(c3cccc(C(C)O)n3)CC2)CC1=O
InChIInChI=1S/C17H25N3O2/c1-3-19-12-17(11-16(19)22)7-9-20(10-8-17)15-6-4-5-14(18-15)13(2)21/h4-6,13,21H,3,7-12H2,1-2H3
InChIKeyBFFLTVNPFLVWKD-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.97
Rot. Bonds3

About 2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one

2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70755226) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70755226
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESCCN1CC2(CCN(c3cccc(C(C)O)n3)CC2)CC1=O
InChIInChI=1S/C17H25N3O2/c1-3-19-12-17(11-16(19)22)7-9-20(10-8-17)15-6-4-5-14(18-15)13(2)21/h4-6,13,21H,3,7-12H2,1-2H3
InChIKeyBFFLTVNPFLVWKD-UHFFFAOYSA-N
XLogP1.97
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]piperidine-4-carboxylic acid
CID 95563400
2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72866242
8-[6-(dimethylamino)pyrazin-2-yl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72913109
8-(2-methylpyrimidin-4-yl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72843442
(1S)-1-[6-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-pyridinyl]ethanol
CID 97452088
3-(4-chlorophenyl)-1-[6-(1-hydroxyethyl)-2-pyridinyl]azetidin-3-ol
CID 146140358
1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
CID 138052956
methyl 4-[4-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]piperazin-1-yl]benzoate
CID 97280710
2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72854437
8-(5-chlorothiophene-2-carbonyl)-2-ethyl-2,8-diazaspiro[4.5]decan-3-one
CID 70754635
2-(2-methylpropyl)-7-(6-methyl-2-pyridinyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472836
1-[6-[4-(2-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]-2-pyridinyl]ethanol
CID 72884550

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one (CID 70755226) is 2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one is CCN1CC2(CCN(c3cccc(C(C)O)n3)CC2)CC1=O.
What is the InChIKey of 2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is BFFLTVNPFLVWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-19-12-17(11-16(19)22)7-9-20(10-8-17)15-6-4-5-14(18-15)13(2)21/h4-6,13,21H,3,7-12H2,1-2H3.
What are the key properties of 2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 303.41 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-8-[6-(1-hydroxyethyl)-2-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70755226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).