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

C21H31N3O2 — CID 70732092

IUPAC2-(cyclopropylmethyl)-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(CC4CC4)C3)C2)c(C)c1=O
InChIInChI=1S/C21H31N3O2/c1-15-10-22-18(16(2)20(15)26)12-23-9-3-7-21(13-23)8-6-19(25)24(14-21)11-17-4-5-17/h10,17H,3-9,11-14H2,1-2H3,(H,22,26)
InChIKeyZIUUROBUCAZUOG-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.61
Rot. Bonds4

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

2-(cyclopropylmethyl)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70732092) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70732092
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-(cyclopropylmethyl)-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(CC4CC4)C3)C2)c(C)c1=O
InChIInChI=1S/C21H31N3O2/c1-15-10-22-18(16(2)20(15)26)12-23-9-3-7-21(13-23)8-6-19(25)24(14-21)11-17-4-5-17/h10,17H,3-9,11-14H2,1-2H3,(H,22,26)
InChIKeyZIUUROBUCAZUOG-UHFFFAOYSA-N
XLogP2.61
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 70732092) is 2-(cyclopropylmethyl)-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-(cyclopropylmethyl)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-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(CC4CC4)C3)C2)c(C)c1=O.
What is the InChIKey of 2-(cyclopropylmethyl)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZIUUROBUCAZUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-15-10-22-18(16(2)20(15)26)12-23-9-3-7-21(13-23)8-6-19(25)24(14-21)11-17-4-5-17/h10,17H,3-9,11-14H2,1-2H3,(H,22,26).
What are the key properties of 2-(cyclopropylmethyl)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one?
2-(cyclopropylmethyl)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 357.50 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-8-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70732092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).