(5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

C21H26N2O3 — CID 97373921

IUPAC(5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1cccc(CN2CC[C@]3(CCN(Cc4ccc(C)o4)C3)C2=O)c1
InChIInChI=1S/C21H26N2O3/c1-16-6-7-19(26-16)14-22-10-8-21(15-22)9-11-23(20(21)24)13-17-4-3-5-18(12-17)25-2/h3-7,12H,8-11,13-15H2,1-2H3/t21-/m0/s1
InChIKeyMWNQMVHNCWFELP-NRFANRHFSA-N
MW354.45 g/mol
LogP3.22
Rot. Bonds5

About (5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one

(5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 97373921) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name(5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID97373921
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOc1cccc(CN2CC[C@]3(CCN(Cc4ccc(C)o4)C3)C2=O)c1
InChIInChI=1S/C21H26N2O3/c1-16-6-7-19(26-16)14-22-10-8-21(15-22)9-11-23(20(21)24)13-17-4-3-5-18(12-17)25-2/h3-7,12H,8-11,13-15H2,1-2H3/t21-/m0/s1
InChIKeyMWNQMVHNCWFELP-NRFANRHFSA-N
XLogP3.22
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131647571
(5S)-2-[(3-methoxyphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373915
(5R)-7-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97373838
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
(5S)-7-ethylsulfonyl-2-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451697
(5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25285350
(5R)-2-[(3-methoxyphenyl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451671
(5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451677
(5R)-7-[(3-methoxyphenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25395770
(5R)-2-[(3-methylphenyl)methyl]-7-(thiophen-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97373826
(7R,8aS)-7-hydroxy-1'-[(3-methoxyphenyl)methyl]-2-[(5-methylfuran-2-yl)methyl]spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100633622

Frequently Asked Questions

What is the IUPAC name of (5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of (5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one (CID 97373921) is (5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for (5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for (5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is COc1cccc(CN2CC[C@]3(CCN(Cc4ccc(C)o4)C3)C2=O)c1.
What is the InChIKey of (5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is MWNQMVHNCWFELP-NRFANRHFSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-6-7-19(26-16)14-22-10-8-21(15-22)9-11-23(20(21)24)13-17-4-3-5-18(12-17)25-2/h3-7,12H,8-11,13-15H2,1-2H3/t21-/m0/s1.
What are the key properties of (5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one?
(5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 354.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-[(3-methoxyphenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 97373921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).