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

C26H34N4O2 — CID 118730669

IUPAC8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)c1cncc(-c2ccc(N3CCOCC3)cc2)c1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C26H34N4O2/c1-19(2)22-17-27-18-23(20-3-5-21(6-4-20)29-13-15-32-16-14-29)24(22)30-11-8-26(9-12-30)7-10-28-25(26)31/h3-6,17-19H,7-16H2,1-2H3,(H,28,31)
InChIKeyVNZVNMMHMHOMEB-UHFFFAOYSA-N
MW434.58 g/mol
LogP3.82
Rot. Bonds4

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

8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 118730669) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID118730669
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCC(C)c1cncc(-c2ccc(N3CCOCC3)cc2)c1N1CCC2(CCNC2=O)CC1
InChIInChI=1S/C26H34N4O2/c1-19(2)22-17-27-18-23(20-3-5-21(6-4-20)29-13-15-32-16-14-29)24(22)30-11-8-26(9-12-30)7-10-28-25(26)31/h3-6,17-19H,7-16H2,1-2H3,(H,28,31)
InChIKeyVNZVNMMHMHOMEB-UHFFFAOYSA-N
XLogP3.82
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one (CID 118730669) is 8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is CC(C)c1cncc(-c2ccc(N3CCOCC3)cc2)c1N1CCC2(CCNC2=O)CC1.
What is the InChIKey of 8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is VNZVNMMHMHOMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-19(2)22-17-27-18-23(20-3-5-21(6-4-20)29-13-15-32-16-14-29)24(22)30-11-8-26(9-12-30)7-10-28-25(26)31/h3-6,17-19H,7-16H2,1-2H3,(H,28,31).
What are the key properties of 8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 434.58 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-morpholin-4-ylphenyl)-5-propan-2-yl-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118730669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).