8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one

C22H31N3O4 — CID 66548034

IUPAC8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(C)Oc1ccc(N2CCC3(CCC(O)(CN4CCCC4=O)CC3)C2=O)cn1
InChIInChI=1S/C22H31N3O4/c1-16(2)29-18-6-5-17(14-23-18)25-13-11-21(20(25)27)7-9-22(28,10-8-21)15-24-12-3-4-19(24)26/h5-6,14,16,28H,3-4,7-13,15H2,1-2H3
InChIKeyCBTYMQZEPLCLEK-UHFFFAOYSA-N
MW401.51 g/mol
LogP2.52
Rot. Bonds5

About 8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one

8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 66548034) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one
PubChem CID66548034
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(C)Oc1ccc(N2CCC3(CCC(O)(CN4CCCC4=O)CC3)C2=O)cn1
InChIInChI=1S/C22H31N3O4/c1-16(2)29-18-6-5-17(14-23-18)25-13-11-21(20(25)27)7-9-22(28,10-8-21)15-24-12-3-4-19(24)26/h5-6,14,16,28H,3-4,7-13,15H2,1-2H3
InChIKeyCBTYMQZEPLCLEK-UHFFFAOYSA-N
XLogP2.52
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one (CID 66548034) is 8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one is CC(C)Oc1ccc(N2CCC3(CCC(O)(CN4CCCC4=O)CC3)C2=O)cn1.
What is the InChIKey of 8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is CBTYMQZEPLCLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c1-16(2)29-18-6-5-17(14-23-18)25-13-11-21(20(25)27)7-9-22(28,10-8-21)15-24-12-3-4-19(24)26/h5-6,14,16,28H,3-4,7-13,15H2,1-2H3.
What are the key properties of 8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one?
8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 401.51 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-[(2-oxopyrrolidin-1-yl)methyl]-2-(6-propan-2-yloxy-3-pyridinyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 66548034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).