2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

C20H28N2O3 — CID 131647418

IUPAC2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESO=C(CC1CC1)N1CCC2(CCOCC2COc2cccnc2)CC1
InChIInChI=1S/C20H28N2O3/c23-19(12-16-3-4-16)22-9-5-20(6-10-22)7-11-24-14-17(20)15-25-18-2-1-8-21-13-18/h1-2,8,13,16-17H,3-7,9-12,14-15H2
InChIKeyNGGOROCTUUYBAA-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.91
Rot. Bonds5

About 2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 131647418) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
PubChem CID131647418
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESO=C(CC1CC1)N1CCC2(CCOCC2COc2cccnc2)CC1
InChIInChI=1S/C20H28N2O3/c23-19(12-16-3-4-16)22-9-5-20(6-10-22)7-11-24-14-17(20)15-25-18-2-1-8-21-13-18/h1-2,8,13,16-17H,3-7,9-12,14-15H2
InChIKeyNGGOROCTUUYBAA-UHFFFAOYSA-N
XLogP2.91
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone with MolForge

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Related Compounds

2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155836455
(5S)-9-(cyclopropylmethyl)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97485813
cyclopent-3-en-1-yl-[(5S)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 97476184
(5R)-9-methylsulfonyl-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 97475976
9-(pyridin-4-ylmethyl)-5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 131662657
2-cyclopentyl-1-[(3S)-3-(pyridin-3-yloxymethyl)-2-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
CID 97418347
2-(2,3-dihydro-1H-inden-2-yl)-1-[(5R)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97418599
1-[(5S)-5-(methoxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]-2-phenoxyethanone
CID 97418516
2-cyclopropyl-1-[8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155866399
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
CID 126441295
cyclopent-3-en-1-yl-[5-(pyridin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131661809
(3-hydroxycyclobutyl)-[5-(pyrazin-2-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 131680558

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (CID 131647418) is 2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is O=C(CC1CC1)N1CCC2(CCOCC2COc2cccnc2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is NGGOROCTUUYBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19(12-16-3-4-16)22-9-5-20(6-10-22)7-11-24-14-17(20)15-25-18-2-1-8-21-13-18/h1-2,8,13,16-17H,3-7,9-12,14-15H2.
What are the key properties of 2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 344.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[5-(pyridin-3-yloxymethyl)-3-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 131647418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).