cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C19H27N3O2 — CID 124818809

IUPACcyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCN(Cc1ccccn1)[C@H]1CO[C@@]2(CCCN(C(=O)C3CC3)C2)C1
InChIInChI=1S/C19H27N3O2/c1-21(12-16-5-2-3-9-20-16)17-11-19(24-13-17)8-4-10-22(14-19)18(23)15-6-7-15/h2-3,5,9,15,17H,4,6-8,10-14H2,1H3/t17-,19+/m1/s1
InChIKeyRSJSNVHSDVMUCB-MJGOQNOKSA-N
MW329.44 g/mol
LogP2.07
Rot. Bonds4

About cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 124818809) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
PubChem CID124818809
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Namecyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
SMILESCN(Cc1ccccn1)[C@H]1CO[C@@]2(CCCN(C(=O)C3CC3)C2)C1
InChIInChI=1S/C19H27N3O2/c1-21(12-16-5-2-3-9-20-16)17-11-19(24-13-17)8-4-10-22(14-19)18(23)15-6-7-15/h2-3,5,9,15,17H,4,6-8,10-14H2,1H3/t17-,19+/m1/s1
InChIKeyRSJSNVHSDVMUCB-MJGOQNOKSA-N
XLogP2.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1H-pyrrol-2-yl)methanone
CID 134074887
[3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 134074886
N-methyl-7-(5-methylpyrimidin-2-yl)-N-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine;2,2,2-trifluoroacetic acid
CID 155857780
furan-2-yl-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385590
(3R,5R)-N-methyl-7-propylsulfonyl-N-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778081
[(3R)-3-[benzyl(methyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]-cyclobutylmethanone
CID 97487855
cyclopropyl-[(3R,5R)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone;formic acid
CID 155872470
oxalic acid;oxolan-3-yl-[(3S,5R)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 155870650
1-[4-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]ethanone
CID 83290596
(3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778078
N-methyl-7-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155854784
2-cyclopropyl-1-[(3S,5S)-3-(pyridin-2-ylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97476636

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The IUPAC name of cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 124818809) is cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The canonical SMILES for cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is CN(Cc1ccccn1)[C@H]1CO[C@@]2(CCCN(C(=O)C3CC3)C2)C1.
What is the InChIKey of cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
The InChIKey is RSJSNVHSDVMUCB-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21(12-16-5-2-3-9-20-16)17-11-19(24-13-17)8-4-10-22(14-19)18(23)15-6-7-15/h2-3,5,9,15,17H,4,6-8,10-14H2,1H3/t17-,19+/m1/s1.
What are the key properties of cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?
cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 329.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3R,5S)-3-[methyl(pyridin-2-ylmethyl)amino]-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 124818809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).