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

C18H31N3O5 — CID 139686553

IUPAC2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)CNC(=O)CCCC2CCNCC2)CC1
InChIInChI=1S/C18H31N3O5/c22-16(3-1-2-14-4-8-19-9-5-14)20-12-17(23)21-10-6-15(7-11-21)26-13-18(24)25/h14-15,19H,1-13H2,(H,20,22)(H,24,25)
InChIKeyHETAHZLFHJSVBP-UHFFFAOYSA-N
MW369.46 g/mol
LogP0.36
Rot. Bonds9

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

2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid (PubChem CID 139686553) has the molecular formula C18H31N3O5 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid
PubChem CID139686553
Molecular FormulaC18H31N3O5
Molecular Weight369.46 g/mol
Exact Mass369.23
IUPAC Name2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid
SMILESO=C(O)COC1CCN(C(=O)CNC(=O)CCCC2CCNCC2)CC1
InChIInChI=1S/C18H31N3O5/c22-16(3-1-2-14-4-8-19-9-5-14)20-12-17(23)21-10-6-15(7-11-21)26-13-18(24)25/h14-15,19H,1-13H2,(H,20,22)(H,24,25)
InChIKeyHETAHZLFHJSVBP-UHFFFAOYSA-N
XLogP0.36
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(2S)-3-(4-methoxyphenyl)-2-(4-piperidin-4-ylbutanoylamino)propanoyl]piperidin-4-yl]oxyacetic acid
CID 54327573
2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid
CID 68693446
2-[[2-(3-piperidin-4-ylpropanoylamino)acetyl]amino]acetic acid
CID 62210241
2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride
CID 19602925
N-(2-oxo-2-piperidin-1-ylethyl)-2-piperidin-4-ylacetamide
CID 112701646
2-(1-prop-2-enoylpiperidin-4-yl)oxyacetic acid
CID 63869209
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 78918540
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
2-[1-[2-(4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbonylamino)acetyl]piperidin-4-yl]oxyacetic acid
CID 67748751
2-[1-(5-aminohexanoyl)piperidin-4-yl]oxyacetic acid
CID 82851206
ethane;N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]octanamide
CID 166550158
2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid
CID 18971570

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid (CID 139686553) is 2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid is O=C(O)COC1CCN(C(=O)CNC(=O)CCCC2CCNCC2)CC1.
What is the InChIKey of 2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is HETAHZLFHJSVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O5/c22-16(3-1-2-14-4-8-19-9-5-14)20-12-17(23)21-10-6-15(7-11-21)26-13-18(24)25/h14-15,19H,1-13H2,(H,20,22)(H,24,25).
What are the key properties of 2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 369.46 g/mol, XLogP of 0.36, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 139686553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).