(5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C17H26N4O3 — CID 136818945

IUPAC(5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(Cc3cc(=O)[nH]c(C)n3)C2)C1=O
InChIInChI=1S/C17H26N4O3/c1-13-18-14(10-15(22)19-13)11-20-7-5-17(12-20)4-3-6-21(16(17)23)8-9-24-2/h10H,3-9,11-12H2,1-2H3,(H,18,19,22)/t17-/m1/s1
InChIKeyGAQASFFAOPIPJX-QGZVFWFLSA-N
MW334.42 g/mol
LogP0.54
Rot. Bonds5

About (5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 136818945) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is (5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID136818945
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name(5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(Cc3cc(=O)[nH]c(C)n3)C2)C1=O
InChIInChI=1S/C17H26N4O3/c1-13-18-14(10-15(22)19-13)11-20-7-5-17(12-20)4-3-6-21(16(17)23)8-9-24-2/h10H,3-9,11-12H2,1-2H3,(H,18,19,22)/t17-/m1/s1
InChIKeyGAQASFFAOPIPJX-QGZVFWFLSA-N
XLogP0.54
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

7-(2-methoxyethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45190498
(5R)-7-(2-methoxyethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97133083
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
(5R)-2-[(2,5-difluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42377378
2-[(2-chlorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45200677
2-(2-methoxyethyl)-9-[(4-methyl-1,3-thiazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98895101
2-(2-methoxyethyl)-7-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175641199
2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72861946
(5S)-2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119601
(5R)-7-(2-methoxyethyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97109798
(5S)-2-(2-methoxyethyl)-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489875
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 136818945) is (5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCC[C@]2(CCN(Cc3cc(=O)[nH]c(C)n3)C2)C1=O.
What is the InChIKey of (5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GAQASFFAOPIPJX-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-13-18-14(10-15(22)19-13)11-20-7-5-17(12-20)4-3-6-21(16(17)23)8-9-24-2/h10H,3-9,11-12H2,1-2H3,(H,18,19,22)/t17-/m1/s1.
What are the key properties of (5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 334.42 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2-methoxyethyl)-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 136818945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).