3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile

C14H23N3O2 — CID 122509096

IUPAC3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile
SMILESN#CCC(=O)C1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C14H23N3O2/c15-4-1-14(18)13-2-5-16(6-3-13)7-8-17-9-11-19-12-10-17/h13H,1-3,5-12H2
InChIKeyJESFROMVYMSSND-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.51
Rot. Bonds5

About 3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile

3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile (PubChem CID 122509096) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile
PubChem CID122509096
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile
SMILESN#CCC(=O)C1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C14H23N3O2/c15-4-1-14(18)13-2-5-16(6-3-13)7-8-17-9-11-19-12-10-17/h13H,1-3,5-12H2
InChIKeyJESFROMVYMSSND-UHFFFAOYSA-N
XLogP0.51
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile (CID 122509096) is 3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile is N#CCC(=O)C1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile?
The InChIKey is JESFROMVYMSSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c15-4-1-14(18)13-2-5-16(6-3-13)7-8-17-9-11-19-12-10-17/h13H,1-3,5-12H2.
What are the key properties of 3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile?
3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile has a molecular weight of 265.36 g/mol, XLogP of 0.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]-3-oxopropanenitrile is sourced from PubChem (CID 122509096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).