4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile

C15H23N3O3 — CID 63516325

IUPAC4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile
SMILESN#CC1(C(=O)N2CCC(N3CCOCC3)C2)CCOCC1
InChIInChI=1S/C15H23N3O3/c16-12-15(2-7-20-8-3-15)14(19)18-4-1-13(11-18)17-5-9-21-10-6-17/h13H,1-11H2
InChIKeyGBDKZXRPVRUAOO-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.24
Rot. Bonds2

About 4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile

4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile (PubChem CID 63516325) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile
PubChem CID63516325
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile
SMILESN#CC1(C(=O)N2CCC(N3CCOCC3)C2)CCOCC1
InChIInChI=1S/C15H23N3O3/c16-12-15(2-7-20-8-3-15)14(19)18-4-1-13(11-18)17-5-9-21-10-6-17/h13H,1-11H2
InChIKeyGBDKZXRPVRUAOO-UHFFFAOYSA-N
XLogP0.24
TPSA65.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-morpholin-4-ylpyrrolidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 63516166
4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile
CID 62368811
4-(6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl)oxane-4-carbonitrile
CID 82863444
(1-aminocyclopentyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 55158587
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclobutane-1-carbonitrile
CID 79078849
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile
CID 79079811
2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119858142
3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile
CID 63516487
(3-methylpiperidin-3-yl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63172091
(1-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 64552763
(3R,4R)-1-(4-cyanooxane-4-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120978573
2,2-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one
CID 64592238

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile?
The IUPAC name of 4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile (CID 63516325) is 4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile.
What is the SMILES notation for 4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile?
The canonical SMILES for 4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile is N#CC1(C(=O)N2CCC(N3CCOCC3)C2)CCOCC1.
What is the InChIKey of 4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile?
The InChIKey is GBDKZXRPVRUAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c16-12-15(2-7-20-8-3-15)14(19)18-4-1-13(11-18)17-5-9-21-10-6-17/h13H,1-11H2.
What are the key properties of 4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile?
4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile has a molecular weight of 293.37 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpyrrolidine-1-carbonyl)oxane-4-carbonitrile is sourced from PubChem (CID 63516325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).