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

C23H27ClN4O2 — CID 91928421

IUPAC8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)CC2
InChIInChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29)
InChIKeyOCKDTDFLJPUWIH-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-1-one

8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 91928421) 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-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID91928421
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-1-one
SMILESO=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)CC2
InChIInChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(H,26,29)
InChIKeyOCKDTDFLJPUWIH-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

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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-1-one?
The IUPAC name of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 91928421) is 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(N3CCOCC3)cc1)CC2.
What is the InChIKey of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is OCKDTDFLJPUWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c24-20-16-25-15-19(17-1-3-18(4-2-17)27-11-13-30-14-12-27)21(20)28-9-6-23(7-10-28)5-8-26-22(23)29/h1-4,15-16H,5-14H2,(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-1-one?
8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-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-1-one is sourced from PubChem (CID 91928421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).