8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

C24H30N4O2 — CID 118730667

IUPAC8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cncc(-c2ccc(N3CCOCC3)cc2)c1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C24H30N4O2/c1-18-16-25-17-21(19-2-4-20(5-3-19)27-12-14-30-15-13-27)22(18)28-10-7-24(8-11-28)6-9-26-23(24)29/h2-5,16-17H,6-15H2,1H3,(H,26,29)
InChIKeyGILMUELTCGDWDU-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.00
Rot. Bonds3

About 8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one

8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118730667) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118730667
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cncc(-c2ccc(N3CCOCC3)cc2)c1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C24H30N4O2/c1-18-16-25-17-21(19-2-4-20(5-3-19)27-12-14-30-15-13-27)22(18)28-10-7-24(8-11-28)6-9-26-23(24)29/h2-5,16-17H,6-15H2,1H3,(H,26,29)
InChIKeyGILMUELTCGDWDU-UHFFFAOYSA-N
XLogP3.00
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118730667) is 8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cncc(-c2ccc(N3CCOCC3)cc2)c1N1CCC2(CCNC2=O)CC1.
What is the InChIKey of 8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is GILMUELTCGDWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18-16-25-17-21(19-2-4-20(5-3-19)27-12-14-30-15-13-27)22(18)28-10-7-24(8-11-28)6-9-26-23(24)29/h2-5,16-17H,6-15H2,1H3,(H,26,29).
What are the key properties of 8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 406.53 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118730667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).