(2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone

C18H24N2O3 — CID 134071245

IUPAC(2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCC1CC1C(=O)N1CCC2(CC1)CC(Oc1cccnc1)CO2
InChIInChI=1S/C18H24N2O3/c1-13-9-16(13)17(21)20-7-4-18(5-8-20)10-15(12-22-18)23-14-3-2-6-19-11-14/h2-3,6,11,13,15-16H,4-5,7-10,12H2,1H3
InChIKeyBAVKXBOYSDQXIP-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.27
Rot. Bonds3

About (2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone

(2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 134071245) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID134071245
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCC1CC1C(=O)N1CCC2(CC1)CC(Oc1cccnc1)CO2
InChIInChI=1S/C18H24N2O3/c1-13-9-16(13)17(21)20-7-4-18(5-8-20)10-15(12-22-18)23-14-3-2-6-19-11-14/h2-3,6,11,13,15-16H,4-5,7-10,12H2,1H3
InChIKeyBAVKXBOYSDQXIP-UHFFFAOYSA-N
XLogP2.27
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
CID 97488429
2-methylsulfonyl-1-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418966
(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-(1H-pyrrol-2-yl)methanone
CID 118741128
(1-methylpyrrol-2-yl)-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395044
pyridin-2-yl-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395040
2-(dimethylamino)-1-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97394423
2-(dimethylamino)-1-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97394424
(1-methylpyrazol-4-yl)-[(3R,5S)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97419987
(3R,5R)-N-cyclopropyl-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97485695
[(2R)-oxolan-2-yl]-[(3R,5R)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97394437
(3S,5S)-N,N-dimethyl-3-pyridin-3-yloxy-1-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 97371636
(3R,5R)-N-(pyridin-3-ylmethyl)-3-pyridin-3-yloxy-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97485718

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 134071245) is (2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone is CC1CC1C(=O)N1CCC2(CC1)CC(Oc1cccnc1)CO2.
What is the InChIKey of (2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is BAVKXBOYSDQXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-9-16(13)17(21)20-7-4-18(5-8-20)10-15(12-22-18)23-14-3-2-6-19-11-14/h2-3,6,11,13,15-16H,4-5,7-10,12H2,1H3.
What are the key properties of (2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone?
(2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-(3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 134071245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).