(3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H23N3O3 — CID 95715102

IUPAC(3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)c1ccc(N2CCC3(CC2)C[C@H](C(=O)O)N(C)C3)nc1
InChIInChI=1S/C17H23N3O3/c1-12(21)13-3-4-15(18-10-13)20-7-5-17(6-8-20)9-14(16(22)23)19(2)11-17/h3-4,10,14H,5-9,11H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyKBQBCLGDOBMJFU-CQSZACIVSA-N
MW317.39 g/mol
LogP1.66
Rot. Bonds3

About (3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95715102) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95715102
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCC(=O)c1ccc(N2CCC3(CC2)C[C@H](C(=O)O)N(C)C3)nc1
InChIInChI=1S/C17H23N3O3/c1-12(21)13-3-4-15(18-10-13)20-7-5-17(6-8-20)9-14(16(22)23)19(2)11-17/h3-4,10,14H,5-9,11H2,1-2H3,(H,22,23)/t14-/m1/s1
InChIKeyKBQBCLGDOBMJFU-CQSZACIVSA-N
XLogP1.66
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid with MolForge

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Related Compounds

1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone
CID 115969554
6-[2-(3-methylbut-2-enyl)-3-oxo-2,8-diazaspiro[4.5]decan-8-yl]pyridine-3-carboxylic acid
CID 72928045
6-(3-hydroxy-3-methylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 103356410
1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
6-(4,4-diethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 63161227
(3S)-8-(3-hydroxy-4-methylbenzoyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95723385
2-methyl-8-[(2-propan-2-ylpyrimidin-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56915746
(3S)-2-(cyclopropanecarbonyl)-8-(6-methylpyridazin-3-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95896511
6-(2,7-diazaspiro[3.5]nonan-7-yl)pyridine-3-carboxamide
CID 162767740
ethyl (3S)-1-(5-acetyl-2-pyridinyl)-3-propan-2-ylpyrrolidine-3-carboxylate
CID 100673630

Frequently Asked Questions

What is the IUPAC name of (3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95715102) is (3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CC(=O)c1ccc(N2CCC3(CC2)C[C@H](C(=O)O)N(C)C3)nc1.
What is the InChIKey of (3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is KBQBCLGDOBMJFU-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(21)13-3-4-15(18-10-13)20-7-5-17(6-8-20)9-14(16(22)23)19(2)11-17/h3-4,10,14H,5-9,11H2,1-2H3,(H,22,23)/t14-/m1/s1.
What are the key properties of (3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-8-(5-acetyl-2-pyridinyl)-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95715102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).