2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid

C18H30N4O5 — CID 18971570

IUPAC2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)CN2CCN(C3CCNCC3)CC2=O)CC1
InChIInChI=1S/C18H30N4O5/c23-16(20-7-3-15(4-8-20)27-13-18(25)26)12-22-10-9-21(11-17(22)24)14-1-5-19-6-2-14/h14-15,19H,1-13H2,(H,25,26)
InChIKeyKPRAMNUUSVXKBY-UHFFFAOYSA-N
MW382.46 g/mol
LogP-1.03
Rot. Bonds6

About 2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid (PubChem CID 18971570) has the molecular formula C18H30N4O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid
PubChem CID18971570
Molecular FormulaC18H30N4O5
Molecular Weight382.46 g/mol
Exact Mass382.22
IUPAC Name2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)CN2CCN(C3CCNCC3)CC2=O)CC1
InChIInChI=1S/C18H30N4O5/c23-16(20-7-3-15(4-8-20)27-13-18(25)26)12-22-10-9-21(11-17(22)24)14-1-5-19-6-2-14/h14-15,19H,1-13H2,(H,25,26)
InChIKeyKPRAMNUUSVXKBY-UHFFFAOYSA-N
XLogP-1.03
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid (CID 18971570) is 2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)CN2CCN(C3CCNCC3)CC2=O)CC1.
What is the InChIKey of 2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is KPRAMNUUSVXKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O5/c23-16(20-7-3-15(4-8-20)27-13-18(25)26)12-22-10-9-21(11-17(22)24)14-1-5-19-6-2-14/h14-15,19H,1-13H2,(H,25,26).
What are the key properties of 2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 382.46 g/mol, XLogP of -1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 18971570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).