[3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone

C19H32N2O4 — CID 131650344

IUPAC[3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC2(CC1)CC(OCC1CCOCC1)CO2
InChIInChI=1S/C19H32N2O4/c22-18(20-7-1-2-8-20)21-9-5-19(6-10-21)13-17(15-25-19)24-14-16-3-11-23-12-4-16/h16-17H,1-15H2
InChIKeyYUPLEIJDZZOKPT-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.27
Rot. Bonds3

About [3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone

[3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone (PubChem CID 131650344) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is [3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
PubChem CID131650344
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name[3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(N1CCCC1)N1CCC2(CC1)CC(OCC1CCOCC1)CO2
InChIInChI=1S/C19H32N2O4/c22-18(20-7-1-2-8-20)21-9-5-19(6-10-21)13-17(15-25-19)24-14-16-3-11-23-12-4-16/h16-17H,1-15H2
InChIKeyYUPLEIJDZZOKPT-UHFFFAOYSA-N
XLogP2.27
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5S)-3-(cyclopropylmethoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrrolidin-1-ylmethanone
CID 97419485
(3R)-8-ethylsulfonyl-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97474992
[(3R,5S)-3-(cyclobutylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(thian-4-yl)methanone
CID 97477603
(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
CID 97487542
(3R,5S)-3-(oxan-4-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane;2,2,2-trifluoroacetic acid
CID 155848041
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(4-methoxyphenyl)methanone
CID 97474497
[(3S)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394897
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(2-methylfuran-3-yl)methanone
CID 131652733
[(3R)-3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-methylpyrazin-2-yl)methanone
CID 97394898
[3-(cyclopropylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(3,4-difluorophenyl)methanone
CID 131659686
(3R)-8-[(2-methylphenyl)methyl]-3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decane
CID 97418922
2-(cyclohexen-1-yl)-1-[(3S,5S)-3-(cyclopropylmethoxy)-1-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 97476098

Frequently Asked Questions

What is the IUPAC name of [3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone (CID 131650344) is [3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone is O=C(N1CCCC1)N1CCC2(CC1)CC(OCC1CCOCC1)CO2.
What is the InChIKey of [3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YUPLEIJDZZOKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c22-18(20-7-1-2-8-20)21-9-5-19(6-10-21)13-17(15-25-19)24-14-16-3-11-23-12-4-16/h16-17H,1-15H2.
What are the key properties of [3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone?
[3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 352.48 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 [3-(oxan-4-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 131650344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).