8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C24H28ClN3O2 — CID 118730674

IUPAC8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(C3CCOCC3)cc1)CC2
InChIInChI=1S/C24H28ClN3O2/c25-21-16-26-15-20(19-3-1-17(2-4-19)18-5-13-30-14-6-18)22(21)28-11-8-24(9-12-28)7-10-27-23(24)29/h1-4,15-16,18H,5-14H2,(H,27,29)
InChIKeyJIIMKETZZRFHHT-UHFFFAOYSA-N
MW425.96 g/mol
LogP4.40
Rot. Bonds3

About 8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118730674) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is 8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118730674
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC Name8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(C3CCOCC3)cc1)CC2
InChIInChI=1S/C24H28ClN3O2/c25-21-16-26-15-20(19-3-1-17(2-4-19)18-5-13-30-14-6-18)22(21)28-11-8-24(9-12-28)7-10-27-23(24)29/h1-4,15-16,18H,5-14H2,(H,27,29)
InChIKeyJIIMKETZZRFHHT-UHFFFAOYSA-N
XLogP4.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118730674) is 8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(C3CCOCC3)cc1)CC2.
What is the InChIKey of 8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is JIIMKETZZRFHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c25-21-16-26-15-20(19-3-1-17(2-4-19)18-5-13-30-14-6-18)22(21)28-11-8-24(9-12-28)7-10-27-23(24)29/h1-4,15-16,18H,5-14H2,(H,27,29).
What are the key properties of 8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 425.96 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-[4-(oxan-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118730674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).