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6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid

C23H30N2O3 — CID 142757368

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
SMILESCC(C)c1cccc(C2=CCN(C(=O)C3NCC4(CC4)CC3C(=O)O)CC2)c1
InChIInChI=1S/C23H30N2O3/c1-15(2)17-4-3-5-18(12-17)16-6-10-25(11-7-16)21(26)20-19(22(27)28)13-23(8-9-23)14-24-20/h3-6,12,15,19-20,24H,7-11,13-14H2,1-2H3,(H,27,28)
InChIKeyRCASFVWJSPTQTJ-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.27
Rot. Bonds4

About 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid

6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid (PubChem CID 142757368) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid.

Molecular Properties

Compound Name6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
PubChem CID142757368
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid
SMILESCC(C)c1cccc(C2=CCN(C(=O)C3NCC4(CC4)CC3C(=O)O)CC2)c1
InChIInChI=1S/C23H30N2O3/c1-15(2)17-4-3-5-18(12-17)16-6-10-25(11-7-16)21(26)20-19(22(27)28)13-23(8-9-23)14-24-20/h3-6,12,15,19-20,24H,7-11,13-14H2,1-2H3,(H,27,28)
InChIKeyRCASFVWJSPTQTJ-UHFFFAOYSA-N
XLogP3.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid?
The IUPAC name of 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid (CID 142757368) is 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid.
What is the SMILES notation for 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid?
The canonical SMILES for 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid is CC(C)c1cccc(C2=CCN(C(=O)C3NCC4(CC4)CC3C(=O)O)CC2)c1.
What is the InChIKey of 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid?
The InChIKey is RCASFVWJSPTQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-15(2)17-4-3-5-18(12-17)16-6-10-25(11-7-16)21(26)20-19(22(27)28)13-23(8-9-23)14-24-20/h3-6,12,15,19-20,24H,7-11,13-14H2,1-2H3,(H,27,28).
What are the key properties of 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid?
6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid has a molecular weight of 382.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-propan-2-ylphenyl)-3,6-dihydro-2H-pyridine-1-carbonyl]-5-azaspiro[2.5]octane-7-carboxylic acid is sourced from PubChem (CID 142757368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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