2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

C22H33N3O2 — CID 70734903

IUPAC2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1c[nH]c(CN2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)c(C)c1=O
InChIInChI=1S/C22H33N3O2/c1-16-12-23-19(17(2)21(16)27)13-24-11-5-9-22(14-24)10-8-20(26)25(15-22)18-6-3-4-7-18/h12,18H,3-11,13-15H2,1-2H3,(H,23,27)
InChIKeyZONYQDJVOQNLHQ-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.14
Rot. Bonds3

About 2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70734903) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70734903
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1c[nH]c(CN2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)c(C)c1=O
InChIInChI=1S/C22H33N3O2/c1-16-12-23-19(17(2)21(16)27)13-24-11-5-9-22(14-24)10-8-20(26)25(15-22)18-6-3-4-7-18/h12,18H,3-11,13-15H2,1-2H3,(H,23,27)
InChIKeyZONYQDJVOQNLHQ-UHFFFAOYSA-N
XLogP3.14
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70734903) is 2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is Cc1c[nH]c(CN2CCCC3(CCC(=O)N(C4CCCC4)C3)C2)c(C)c1=O.
What is the InChIKey of 2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZONYQDJVOQNLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16-12-23-19(17(2)21(16)27)13-24-11-5-9-22(14-24)10-8-20(26)25(15-22)18-6-3-4-7-18/h12,18H,3-11,13-15H2,1-2H3,(H,23,27).
What are the key properties of 2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.53 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70734903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).