[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone

C20H30N2O3 — CID 97476796

IUPAC[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCC2(CC[C@H](COCC3CC3)N2C)CC1
InChIInChI=1S/C20H30N2O3/c1-15-6-12-25-18(15)19(23)22-10-8-20(9-11-22)7-5-17(21(20)2)14-24-13-16-3-4-16/h6,12,16-17H,3-5,7-11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyOSEROHBRIKNYJP-QGZVFWFLSA-N
MW346.47 g/mol
LogP3.08
Rot. Bonds5

About [(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone

[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 97476796) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is [(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
PubChem CID97476796
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1CCC2(CC[C@H](COCC3CC3)N2C)CC1
InChIInChI=1S/C20H30N2O3/c1-15-6-12-25-18(15)19(23)22-10-8-20(9-11-22)7-5-17(21(20)2)14-24-13-16-3-4-16/h6,12,16-17H,3-5,7-11,13-14H2,1-2H3/t17-/m1/s1
InChIKeyOSEROHBRIKNYJP-QGZVFWFLSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylphenyl)methanone
CID 97477256
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-pyrimidin-2-ylmethanone
CID 133142880
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 131659597
[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-4-yl)methanone
CID 131650087
1-[2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylethanone
CID 131655535
1-[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-3-methoxypropan-1-one
CID 97476692
[3-(ethoxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone
CID 131647307
(4-fluoro-2-methylphenyl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131658843
(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-8-(pyridin-4-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97474938
cyclopenten-1-yl-[(2R)-2-(ethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97476477
(4,5-dimethylthiophen-2-yl)-[2-(methoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 131652187
(3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304339

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone (CID 97476796) is [(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1CCC2(CC[C@H](COCC3CC3)N2C)CC1.
What is the InChIKey of [(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is OSEROHBRIKNYJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15-6-12-25-18(15)19(23)22-10-8-20(9-11-22)7-5-17(21(20)2)14-24-13-16-3-4-16/h6,12,16-17H,3-5,7-11,13-14H2,1-2H3/t17-/m1/s1.
What are the key properties of [(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone?
[(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 346.47 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(cyclopropylmethoxymethyl)-1-methyl-1,8-diazaspiro[4.5]decan-8-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 97476796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).