(3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C20H30N2O3 — CID 97477333

IUPAC(3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccoc1C(=O)N1CC[C@]2(CCC[C@H](CN3CCCCC3)O2)C1
InChIInChI=1S/C20H30N2O3/c1-16-7-13-24-18(16)19(23)22-12-9-20(15-22)8-5-6-17(25-20)14-21-10-3-2-4-11-21/h7,13,17H,2-6,8-12,14-15H2,1H3/t17-,20-/m1/s1
InChIKeyUGJGUDJEPCTTRI-YLJYHZDGSA-N
MW346.47 g/mol
LogP3.23
Rot. Bonds3

About (3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 97477333) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID97477333
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1ccoc1C(=O)N1CC[C@]2(CCC[C@H](CN3CCCCC3)O2)C1
InChIInChI=1S/C20H30N2O3/c1-16-7-13-24-18(16)19(23)22-12-9-20(15-22)8-5-6-17(25-20)14-21-10-3-2-4-11-21/h7,13,17H,2-6,8-12,14-15H2,1H3/t17-,20-/m1/s1
InChIKeyUGJGUDJEPCTTRI-YLJYHZDGSA-N
XLogP3.23
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylfuran-2-yl)-[(5R,7S)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97475314
(5-methylthiadiazol-4-yl)-[(5R,7R)-7-(pyrrolidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone;2,2,2-trifluoroacetic acid
CID 155866875
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3-methylfuran-2-yl)methanone
CID 45216512
1-[[2-(3-methylfuran-2-carbonyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]piperidin-2-one
CID 131693487
[(5R,7S)-7-[(dimethylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
CID 97483949
2-(furan-2-yl)-1-[(5R,7R)-7-(morpholin-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155832912
(3aR,6aS)-5-(3-methylfuran-2-carbonyl)-3-(2-piperidin-1-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133120562
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
(3-methylfuran-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304339
[2-(hydroxymethyl)azepan-1-yl]-(3-methylfuran-2-yl)methanone
CID 116636174
(3-methylfuran-2-yl)-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 126433602
(5-methylfuran-2-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477842

Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 97477333) is (3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is Cc1ccoc1C(=O)N1CC[C@]2(CCC[C@H](CN3CCCCC3)O2)C1.
What is the InChIKey of (3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is UGJGUDJEPCTTRI-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-16-7-13-24-18(16)19(23)22-12-9-20(15-22)8-5-6-17(25-20)14-21-10-3-2-4-11-21/h7,13,17H,2-6,8-12,14-15H2,1H3/t17-,20-/m1/s1.
What are the key properties of (3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 346.47 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[(5R,7R)-7-(piperidin-1-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 97477333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).