5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C16H23N3O2 — CID 131638072

IUPAC5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(CN2C(=O)COC3(CCNCC3)C2C)n1
InChIInChI=1S/C16H23N3O2/c1-12-4-3-5-14(18-12)10-19-13(2)16(21-11-15(19)20)6-8-17-9-7-16/h3-5,13,17H,6-11H2,1-2H3
InChIKeyMSQCMCFTAYDFHG-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.26
Rot. Bonds2

About 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 131638072) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID131638072
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cccc(CN2C(=O)COC3(CCNCC3)C2C)n1
InChIInChI=1S/C16H23N3O2/c1-12-4-3-5-14(18-12)10-19-13(2)16(21-11-15(19)20)6-8-17-9-7-16/h3-5,13,17H,6-11H2,1-2H3
InChIKeyMSQCMCFTAYDFHG-UHFFFAOYSA-N
XLogP1.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 131638072) is 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cccc(CN2C(=O)COC3(CCNCC3)C2C)n1.
What is the InChIKey of 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MSQCMCFTAYDFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-4-3-5-14(18-12)10-19-13(2)16(21-11-15(19)20)6-8-17-9-7-16/h3-5,13,17H,6-11H2,1-2H3.
What are the key properties of 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 289.38 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 131638072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).