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

C23H27ClN4O2 — CID 118730663

IUPAC8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)CN1
InChIInChI=1S/C23H27ClN4O2/c24-20-15-25-14-19(17-1-3-18(4-2-17)27-9-11-30-12-10-27)22(20)28-7-5-23(6-8-28)13-21(29)26-16-23/h1-4,14-15H,5-13,16H2,(H,26,29)
InChIKeyVTLVEDXZTNTPGG-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.35
Rot. Bonds3

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

8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 118730663) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID118730663
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)CN1
InChIInChI=1S/C23H27ClN4O2/c24-20-15-25-14-19(17-1-3-18(4-2-17)27-9-11-30-12-10-27)22(20)28-7-5-23(6-8-28)13-21(29)26-16-23/h1-4,14-15H,5-13,16H2,(H,26,29)
InChIKeyVTLVEDXZTNTPGG-UHFFFAOYSA-N
XLogP3.35
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

1-[3-Chloro-5-[4-(dimethylamino)phenyl]-4-pyridinyl]piperidine-4-carboxamide
CID 45275784
8-[3-Chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione
CID 118407980
8-(3-Chloro-5-(4-(4-methylpiperazin-1-yl)phenyl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 91928418
8-(3-Chloro-5-(4-morpholinophenyl)pyridin-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 91928421
1-[3-Chloro-5-(3-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 118730659
1-[3-Chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]piperidine-4-carboxamide
CID 118730660
1-[3-Chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-4-methylpiperidine-4-carboxamide
CID 118730662
8-[3-Chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 118730664
7-[3-Chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 118730666
8-[3-Methyl-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118730667
8-[3-(4-Morpholin-4-ylphenyl)-5-prop-1-en-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118730668
8-[3-(4-Morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118730669

Frequently Asked Questions

What is the IUPAC name of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one (CID 118730663) is 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)CN1.
What is the InChIKey of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is VTLVEDXZTNTPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c24-20-15-25-14-19(17-1-3-18(4-2-17)27-9-11-30-12-10-27)22(20)28-7-5-23(6-8-28)13-21(29)26-16-23/h1-4,14-15H,5-13,16H2,(H,26,29).
What are the key properties of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one?
8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 426.95 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 118730663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).