1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone

C19H32N2O3 — CID 99838429

IUPAC1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1C1CCOCC1)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C19H32N2O3/c22-18(17-5-4-10-21(17)16-6-12-23-13-7-16)20-11-14-24-19(15-20)8-2-1-3-9-19/h16-17H,1-15H2/t17-/m1/s1
InChIKeyRUVSZPIBYXHBHR-QGZVFWFLSA-N
MW336.48 g/mol
LogP2.19
Rot. Bonds2

About 1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone

1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone (PubChem CID 99838429) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone
PubChem CID99838429
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone
SMILESO=C([C@H]1CCCN1C1CCOCC1)N1CCOC2(CCCCC2)C1
InChIInChI=1S/C19H32N2O3/c22-18(17-5-4-10-21(17)16-6-12-23-13-7-16)20-11-14-24-19(15-20)8-2-1-3-9-19/h16-17H,1-15H2/t17-/m1/s1
InChIKeyRUVSZPIBYXHBHR-QGZVFWFLSA-N
XLogP2.19
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61176841
cyclopropyl-[3-(1-oxa-4-azaspiro[5.6]dodecane-4-carbonyl)piperidin-1-yl]methanone
CID 102553114
2-(1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)cyclobutane-1-carboxamide
CID 122134891
1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone
CID 127875131
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
(1,1-dioxothian-3-yl)-(1-oxa-4-azaspiro[5.5]undecan-4-yl)methanone
CID 122134875
2-methyl-1-[1-(oxan-4-yl)pyrrolidin-2-yl]prop-2-en-1-one
CID 91452980
1-(5-oxaspiro[3.5]nonan-8-yl)pyrrolidine-2-carboxylic acid
CID 79893963
[1-(oxolan-3-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 63333598
1-(1,9-dioxaspiro[5.5]undecan-4-yl)azepane-2-carboxylic acid
CID 79901428
[(3aS,5S,6aS)-3,3a,4,5,6,6a-hexahydro-2H-furo[3,2-b]pyrrol-5-yl]-(1-oxa-4-azaspiro[5.6]dodecan-4-yl)methanone
CID 138016083

Frequently Asked Questions

What is the IUPAC name of 1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone?
The IUPAC name of 1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone (CID 99838429) is 1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for 1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone?
The canonical SMILES for 1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone is O=C([C@H]1CCCN1C1CCOCC1)N1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone?
The InChIKey is RUVSZPIBYXHBHR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H32N2O3/c22-18(17-5-4-10-21(17)16-6-12-23-13-7-16)20-11-14-24-19(15-20)8-2-1-3-9-19/h16-17H,1-15H2/t17-/m1/s1.
What are the key properties of 1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone?
1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone has a molecular weight of 336.48 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 99838429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).