[(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone

C20H30N2O3 — CID 97478003

IUPAC[(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)c(C)o1
InChIInChI=1S/C20H30N2O3/c1-14-8-18(15(2)25-14)19(23)22-7-6-20(13-22)12-21(3)9-17(20)11-24-10-16-4-5-16/h8,16-17H,4-7,9-13H2,1-3H3/t17-,20-/m1/s1
InChIKeyGXRXYWGUFNCMDB-YLJYHZDGSA-N
MW346.47 g/mol
LogP2.72
Rot. Bonds5

About [(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone

[(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 97478003) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is [(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID97478003
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name[(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)c(C)o1
InChIInChI=1S/C20H30N2O3/c1-14-8-18(15(2)25-14)19(23)22-7-6-20(13-22)12-21(3)9-17(20)11-24-10-16-4-5-16/h8,16-17H,4-7,9-13H2,1-3H3/t17-,20-/m1/s1
InChIKeyGXRXYWGUFNCMDB-YLJYHZDGSA-N
XLogP2.72
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5R,9S)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 131681789
[(5R,9S)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-[3-(difluoromethyl)-1-methylpyrazol-4-yl]methanone;2,2,2-trifluoroacetic acid
CID 155865861
[(4S)-4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(4-ethylphenyl)methanone
CID 124819418
1-[4-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-2-methoxyethanone
CID 131678283
(5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131689406
(5S,9R)-9-(cyclopropylmethoxymethyl)-2-cyclopropylsulfonyl-7-methyl-2,7-diazaspiro[4.4]nonane
CID 124814820
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,5-dimethylfuran-3-yl)methanone
CID 120815344
6-(2,5-dimethylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175577
[(4R,5R)-4-(cyclopropylmethoxymethyl)-2-(cyclopropylmethyl)-2,7-diazaspiro[4.4]nonan-7-yl]-(furan-3-yl)methanone
CID 97486317
(5-cyclopropyl-1,2-oxazol-3-yl)-[(5R,9S)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131688336
[3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 156611517
(3,4-difluorophenyl)-[(5R,9R)-9-(methoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 97485532

Frequently Asked Questions

What is the IUPAC name of [(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 97478003) is [(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CC[C@@]3(CN(C)C[C@@H]3COCC3CC3)C2)c(C)o1.
What is the InChIKey of [(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is GXRXYWGUFNCMDB-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-14-8-18(15(2)25-14)19(23)22-7-6-20(13-22)12-21(3)9-17(20)11-24-10-16-4-5-16/h8,16-17H,4-7,9-13H2,1-3H3/t17-,20-/m1/s1.
What are the key properties of [(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone?
[(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 346.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 97478003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).