(6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H27N3O2 — CID 96579867

IUPAC(6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1C[C@]2(CCCN(c3cc(C)ccn3)C2)CCC1=O
InChIInChI=1S/C18H27N3O2/c1-15-5-8-19-16(12-15)20-9-3-6-18(13-20)7-4-17(22)21(14-18)10-11-23-2/h5,8,12H,3-4,6-7,9-11,13-14H2,1-2H3/t18-/m1/s1
InChIKeyBMOKYGGJFDHLLG-GOSISDBHSA-N
MW317.43 g/mol
LogP2.25
Rot. Bonds4

About (6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96579867) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96579867
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCOCCN1C[C@]2(CCCN(c3cc(C)ccn3)C2)CCC1=O
InChIInChI=1S/C18H27N3O2/c1-15-5-8-19-16(12-15)20-9-3-6-18(13-20)7-4-17(22)21(14-18)10-11-23-2/h5,8,12H,3-4,6-7,9-11,13-14H2,1-2H3/t18-/m1/s1
InChIKeyBMOKYGGJFDHLLG-GOSISDBHSA-N
XLogP2.25
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 96579867) is (6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one is COCCN1C[C@]2(CCCN(c3cc(C)ccn3)C2)CCC1=O.
What is the InChIKey of (6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is BMOKYGGJFDHLLG-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15-5-8-19-16(12-15)20-9-3-6-18(13-20)7-4-17(22)21(14-18)10-11-23-2/h5,8,12H,3-4,6-7,9-11,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 317.43 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-(2-methoxyethyl)-8-(4-methyl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96579867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).