(5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

C22H33N3O2 — CID 97122532

IUPAC(5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@]2(CCN(Cc3cccc(N4CCOCC4)c3)C2)C1=O
InChIInChI=1S/C22H33N3O2/c1-2-9-25-10-4-7-22(21(25)26)8-11-23(18-22)17-19-5-3-6-20(16-19)24-12-14-27-15-13-24/h3,5-6,16H,2,4,7-15,17-18H2,1H3/t22-/m1/s1
InChIKeyMNOXELVWYKEIBP-JOCHJYFZSA-N
MW371.53 g/mol
LogP2.75
Rot. Bonds5

About (5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

(5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97122532) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97122532
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name(5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCCCN1CCC[C@]2(CCN(Cc3cccc(N4CCOCC4)c3)C2)C1=O
InChIInChI=1S/C22H33N3O2/c1-2-9-25-10-4-7-22(21(25)26)8-11-23(18-22)17-19-5-3-6-20(16-19)24-12-14-27-15-13-24/h3,5-6,16H,2,4,7-15,17-18H2,1H3/t22-/m1/s1
InChIKeyMNOXELVWYKEIBP-JOCHJYFZSA-N
XLogP2.75
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one (CID 97122532) is (5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one is CCCN1CCC[C@]2(CCN(Cc3cccc(N4CCOCC4)c3)C2)C1=O.
What is the InChIKey of (5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is MNOXELVWYKEIBP-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-2-9-25-10-4-7-22(21(25)26)8-11-23(18-22)17-19-5-3-6-20(16-19)24-12-14-27-15-13-24/h3,5-6,16H,2,4,7-15,17-18H2,1H3/t22-/m1/s1.
What are the key properties of (5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one?
(5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 371.53 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-[(3-morpholin-4-ylphenyl)methyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97122532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).