4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile

C13H21N3O2 — CID 22980196

IUPAC4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile
SMILESCC(C)N1CCC(C#N)(N2CCOCC2=O)CC1
InChIInChI=1S/C13H21N3O2/c1-11(2)15-5-3-13(10-14,4-6-15)16-7-8-18-9-12(16)17/h11H,3-9H2,1-2H3
InChIKeyYJRZDPZJIFOAOM-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.61
Rot. Bonds2

About 4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile

4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile (PubChem CID 22980196) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile
PubChem CID22980196
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile
SMILESCC(C)N1CCC(C#N)(N2CCOCC2=O)CC1
InChIInChI=1S/C13H21N3O2/c1-11(2)15-5-3-13(10-14,4-6-15)16-7-8-18-9-12(16)17/h11H,3-9H2,1-2H3
InChIKeyYJRZDPZJIFOAOM-UHFFFAOYSA-N
XLogP0.61
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile?
The IUPAC name of 4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile (CID 22980196) is 4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile is CC(C)N1CCC(C#N)(N2CCOCC2=O)CC1.
What is the InChIKey of 4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile?
The InChIKey is YJRZDPZJIFOAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11(2)15-5-3-13(10-14,4-6-15)16-7-8-18-9-12(16)17/h11H,3-9H2,1-2H3.
What are the key properties of 4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile?
4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile has a molecular weight of 251.33 g/mol, XLogP of 0.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-oxomorpholin-4-yl)-1-propan-2-ylpiperidine-4-carbonitrile is sourced from PubChem (CID 22980196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).