2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid

C18H32N4O4 — CID 18971583

IUPAC2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)CN2CCC(N3CCNCC3)CC2)CC1
InChIInChI=1S/C18H32N4O4/c23-17(22-9-3-16(4-10-22)26-14-18(24)25)13-20-7-1-15(2-8-20)21-11-5-19-6-12-21/h15-16,19H,1-14H2,(H,24,25)
InChIKeyIAKIUPXKSWGWKQ-UHFFFAOYSA-N
MW368.48 g/mol
LogP-0.55
Rot. Bonds6

About 2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid (PubChem CID 18971583) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid
PubChem CID18971583
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC Name2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)CN2CCC(N3CCNCC3)CC2)CC1
InChIInChI=1S/C18H32N4O4/c23-17(22-9-3-16(4-10-22)26-14-18(24)25)13-20-7-1-15(2-8-20)21-11-5-19-6-12-21/h15-16,19H,1-14H2,(H,24,25)
InChIKeyIAKIUPXKSWGWKQ-UHFFFAOYSA-N
XLogP-0.55
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid (CID 18971583) is 2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)CN2CCC(N3CCNCC3)CC2)CC1.
What is the InChIKey of 2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is IAKIUPXKSWGWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4/c23-17(22-9-3-16(4-10-22)26-14-18(24)25)13-20-7-1-15(2-8-20)21-11-5-19-6-12-21/h15-16,19H,1-14H2,(H,24,25).
What are the key properties of 2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 368.48 g/mol, XLogP of -0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-piperazin-1-ylpiperidin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 18971583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).