1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C16H21N3O3 — CID 72855237

IUPAC1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)ccn1
InChIInChI=1S/C16H21N3O3/c1-11-9-12(3-6-17-11)19-7-4-16(5-8-19)13(15(21)22)10-14(20)18(16)2/h3,6,9,13H,4-5,7-8,10H2,1-2H3,(H,21,22)
InChIKeyPPYFJPLPPSUNMR-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.29
Rot. Bonds2

About 1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72855237) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72855237
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)ccn1
InChIInChI=1S/C16H21N3O3/c1-11-9-12(3-6-17-11)19-7-4-16(5-8-19)13(15(21)22)10-14(20)18(16)2/h3,6,9,13H,4-5,7-8,10H2,1-2H3,(H,21,22)
InChIKeyPPYFJPLPPSUNMR-UHFFFAOYSA-N
XLogP1.29
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72855237) is 1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1cc(N2CCC3(CC2)C(C(=O)O)CC(=O)N3C)ccn1.
What is the InChIKey of 1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is PPYFJPLPPSUNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11-9-12(3-6-17-11)19-7-4-16(5-8-19)13(15(21)22)10-14(20)18(16)2/h3,6,9,13H,4-5,7-8,10H2,1-2H3,(H,21,22).
What are the key properties of 1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-(2-methyl-4-pyridinyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72855237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).