(5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

C20H24N2O — CID 26333138

IUPAC(5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(Cc3ccc4ccccc4c3)C2)C1=O
InChIInChI=1S/C20H24N2O/c1-21-11-4-9-20(19(21)23)10-12-22(15-20)14-16-7-8-17-5-2-3-6-18(17)13-16/h2-3,5-8,13H,4,9-12,14-15H2,1H3/t20-/m0/s1
InChIKeyFFFSZDLXQURRCV-FQEVSTJZSA-N
MW308.43 g/mol
LogP3.28
Rot. Bonds2

About (5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 26333138) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID26333138
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCC[C@@]2(CCN(Cc3ccc4ccccc4c3)C2)C1=O
InChIInChI=1S/C20H24N2O/c1-21-11-4-9-20(19(21)23)10-12-22(15-20)14-16-7-8-17-5-2-3-6-18(17)13-16/h2-3,5-8,13H,4,9-12,14-15H2,1H3/t20-/m0/s1
InChIKeyFFFSZDLXQURRCV-FQEVSTJZSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 26333138) is (5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is CN1CCC[C@@]2(CCN(Cc3ccc4ccccc4c3)C2)C1=O.
What is the InChIKey of (5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is FFFSZDLXQURRCV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H24N2O/c1-21-11-4-9-20(19(21)23)10-12-22(15-20)14-16-7-8-17-5-2-3-6-18(17)13-16/h2-3,5-8,13H,4,9-12,14-15H2,1H3/t20-/m0/s1.
What are the key properties of (5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 308.43 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 26333138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).