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

C24H29ClN4O2 — CID 118730664

IUPAC8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)C1=O
InChIInChI=1S/C24H29ClN4O2/c1-27-9-6-24(23(27)30)7-10-29(11-8-24)22-20(16-26-17-21(22)25)18-2-4-19(5-3-18)28-12-14-31-15-13-28/h2-5,16-17H,6-15H2,1H3
InChIKeyNEMIBSVZEKRUBV-UHFFFAOYSA-N
MW440.98 g/mol
LogP3.69
Rot. Bonds3

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

8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118730664) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118730664
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)C1=O
InChIInChI=1S/C24H29ClN4O2/c1-27-9-6-24(23(27)30)7-10-29(11-8-24)22-20(16-26-17-21(22)25)18-2-4-19(5-3-18)28-12-14-31-15-13-28/h2-5,16-17H,6-15H2,1H3
InChIKeyNEMIBSVZEKRUBV-UHFFFAOYSA-N
XLogP3.69
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.69
H-Bond Donors ≤ 50
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-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 118730664) is 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-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-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one is CN1CCC2(CCN(c3c(Cl)cncc3-c3ccc(N4CCOCC4)cc3)CC2)C1=O.
What is the InChIKey of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is NEMIBSVZEKRUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-27-9-6-24(23(27)30)7-10-29(11-8-24)22-20(16-26-17-21(22)25)18-2-4-19(5-3-18)28-12-14-31-15-13-28/h2-5,16-17H,6-15H2,1H3.
What are the key properties of 8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one?
8-[3-chloro-5-(4-morpholin-4-ylphenyl)-4-pyridinyl]-2-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 440.98 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 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-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118730664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).