2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid

C12H20N2O4 — CID 79608870

IUPAC2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H20N2O4/c15-11(16)9-10-1-3-13(4-2-10)12(17)14-5-7-18-8-6-14/h10H,1-9H2,(H,15,16)
InChIKeyRNEKTNLSVLWALK-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.63
Rot. Bonds2

About 2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid

2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid (PubChem CID 79608870) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid
PubChem CID79608870
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C12H20N2O4/c15-11(16)9-10-1-3-13(4-2-10)12(17)14-5-7-18-8-6-14/h10H,1-9H2,(H,15,16)
InChIKeyRNEKTNLSVLWALK-UHFFFAOYSA-N
XLogP0.63
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid (CID 79608870) is 2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid?
The InChIKey is RNEKTNLSVLWALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-11(16)9-10-1-3-13(4-2-10)12(17)14-5-7-18-8-6-14/h10H,1-9H2,(H,15,16).
What are the key properties of 2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid?
2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid has a molecular weight of 256.30 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(morpholine-4-carbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 79608870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).