2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H24ClN3O2 — CID 72880447

IUPAC2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCCC12CCN(c1ccc(Cl)cn1)C2
InChIInChI=1S/C18H24ClN3O2/c19-14-2-3-16(20-12-14)21-9-7-18(13-21)6-1-8-22(17(18)23)15-4-10-24-11-5-15/h2-3,12,15H,1,4-11,13H2
InChIKeyZLGRJHHDKFHEFK-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.73
Rot. Bonds2

About 2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72880447) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72880447
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(C2CCOCC2)CCCC12CCN(c1ccc(Cl)cn1)C2
InChIInChI=1S/C18H24ClN3O2/c19-14-2-3-16(20-12-14)21-9-7-18(13-21)6-1-8-22(17(18)23)15-4-10-24-11-5-15/h2-3,12,15H,1,4-11,13H2
InChIKeyZLGRJHHDKFHEFK-UHFFFAOYSA-N
XLogP2.73
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 72880447) is 2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(C2CCOCC2)CCCC12CCN(c1ccc(Cl)cn1)C2.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZLGRJHHDKFHEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c19-14-2-3-16(20-12-14)21-9-7-18(13-21)6-1-8-22(17(18)23)15-4-10-24-11-5-15/h2-3,12,15H,1,4-11,13H2.
What are the key properties of 2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 349.86 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72880447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).