8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C17H23N3O3 — CID 72927419

IUPAC8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(C(=O)CCc3ccncc3)CC2)CN1
InChIInChI=1S/C17H23N3O3/c21-15(2-1-13-3-7-18-8-4-13)20-9-5-17(6-10-20)11-14(16(22)23)19-12-17/h3-4,7-8,14,19H,1-2,5-6,9-12H2,(H,22,23)
InChIKeyGPEIXAHQVDFBNK-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.07
Rot. Bonds4

About 8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid

8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 72927419) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID72927419
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1CC2(CCN(C(=O)CCc3ccncc3)CC2)CN1
InChIInChI=1S/C17H23N3O3/c21-15(2-1-13-3-7-18-8-4-13)20-9-5-17(6-10-20)11-14(16(22)23)19-12-17/h3-4,7-8,14,19H,1-2,5-6,9-12H2,(H,22,23)
InChIKeyGPEIXAHQVDFBNK-UHFFFAOYSA-N
XLogP1.07
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 72927419) is 8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1CC2(CCN(C(=O)CCc3ccncc3)CC2)CN1.
What is the InChIKey of 8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is GPEIXAHQVDFBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-15(2-1-13-3-7-18-8-4-13)20-9-5-17(6-10-20)11-14(16(22)23)19-12-17/h3-4,7-8,14,19H,1-2,5-6,9-12H2,(H,22,23).
What are the key properties of 8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 72927419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).