(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one

C24H31N3O3 — CID 126426884

IUPAC(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CN2CCC[C@]3(CCN(CCc4ccccn4)C3)C2=O)c1OC
InChIInChI=1S/C24H31N3O3/c1-29-21-9-5-7-19(22(21)30-2)17-27-14-6-11-24(23(27)28)12-16-26(18-24)15-10-20-8-3-4-13-25-20/h3-5,7-9,13H,6,10-12,14-18H2,1-2H3/t24-/m1/s1
InChIKeyHPBCIDUMMFSUEW-XMMPIXPASA-N
MW409.53 g/mol
LogP3.16
Rot. Bonds7

About (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 126426884) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID126426884
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOc1cccc(CN2CCC[C@]3(CCN(CCc4ccccn4)C3)C2=O)c1OC
InChIInChI=1S/C24H31N3O3/c1-29-21-9-5-7-19(22(21)30-2)17-27-14-6-11-24(23(27)28)12-16-26(18-24)15-10-20-8-3-4-13-25-20/h3-5,7-9,13H,6,10-12,14-18H2,1-2H3/t24-/m1/s1
InChIKeyHPBCIDUMMFSUEW-XMMPIXPASA-N
XLogP3.16
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]ethylurea
CID 119062821
7-[(2,3-dimethoxyphenyl)methyl]-2-[(3-hydroxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 70769286
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95886398
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-fluoro-2-pyridinyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126433243
(5S)-2-acetyl-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 26401748
7-[(2,3-dimethoxyphenyl)methyl]-2-pentan-3-yl-2,7-diazaspiro[4.5]decan-6-one
CID 45177820
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126444076
2-[(5R)-7-[(2,3-dimethoxyphenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-oxoacetamide
CID 126448599
7-[(2,3-dimethoxyphenyl)methyl]-2-(1-methylpyrazole-3-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119066982
7-[(2,3-dimethoxyphenyl)methyl]-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70753360
7-[(2,3-dimethoxyphenyl)methyl]-2-(3,3-dimethylbutanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45198728
(5S)-7-[(2,3-dimethoxyphenyl)methyl]-2-(3-methylsulfanylpropanoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42454621

Frequently Asked Questions

What is the IUPAC name of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 126426884) is (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one is COc1cccc(CN2CCC[C@]3(CCN(CCc4ccccn4)C3)C2=O)c1OC.
What is the InChIKey of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is HPBCIDUMMFSUEW-XMMPIXPASA-N. The full InChI is InChI=1S/C24H31N3O3/c1-29-21-9-5-7-19(22(21)30-2)17-27-14-6-11-24(23(27)28)12-16-26(18-24)15-10-20-8-3-4-13-25-20/h3-5,7-9,13H,6,10-12,14-18H2,1-2H3/t24-/m1/s1.
What are the key properties of (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 409.53 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-[(2,3-dimethoxyphenyl)methyl]-2-(2-pyridin-2-ylethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 126426884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).