3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid

C19H28N4O3 — CID 18918602

IUPAC3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)CN2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C19H28N4O3/c24-18(23-9-5-16(6-10-23)1-2-19(25)26)15-21-11-13-22(14-12-21)17-3-7-20-8-4-17/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,25,26)
InChIKeyDVFSEGUCKCRNBY-UHFFFAOYSA-N
MW360.46 g/mol
LogP1.31
Rot. Bonds6

About 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid

3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid (PubChem CID 18918602) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid
PubChem CID18918602
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid
SMILESO=C(O)CCC1CCN(C(=O)CN2CCN(c3ccncc3)CC2)CC1
InChIInChI=1S/C19H28N4O3/c24-18(23-9-5-16(6-10-23)1-2-19(25)26)15-21-11-13-22(14-12-21)17-3-7-20-8-4-17/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,25,26)
InChIKeyDVFSEGUCKCRNBY-UHFFFAOYSA-N
XLogP1.31
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid (CID 18918602) is 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid is O=C(O)CCC1CCN(C(=O)CN2CCN(c3ccncc3)CC2)CC1.
What is the InChIKey of 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid?
The InChIKey is DVFSEGUCKCRNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c24-18(23-9-5-16(6-10-23)1-2-19(25)26)15-21-11-13-22(14-12-21)17-3-7-20-8-4-17/h3-4,7-8,16H,1-2,5-6,9-15H2,(H,25,26).
What are the key properties of 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid?
3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid has a molecular weight of 360.46 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-pyridin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 18918602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).