4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid

C16H22N4O4 — CID 68515493

IUPAC4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid
SMILESCC(=O)N1CCN(c2cc(C(=O)O)nc(N3CCOCC3)c2)CC1
InChIInChI=1S/C16H22N4O4/c1-12(21)18-2-4-19(5-3-18)13-10-14(16(22)23)17-15(11-13)20-6-8-24-9-7-20/h10-11H,2-9H2,1H3,(H,22,23)
InChIKeyYUKHGDYNHGYZEO-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.28
Rot. Bonds3

About 4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid

4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid (PubChem CID 68515493) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid
PubChem CID68515493
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid
SMILESCC(=O)N1CCN(c2cc(C(=O)O)nc(N3CCOCC3)c2)CC1
InChIInChI=1S/C16H22N4O4/c1-12(21)18-2-4-19(5-3-18)13-10-14(16(22)23)17-15(11-13)20-6-8-24-9-7-20/h10-11H,2-9H2,1H3,(H,22,23)
InChIKeyYUKHGDYNHGYZEO-UHFFFAOYSA-N
XLogP0.28
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid (CID 68515493) is 4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid is CC(=O)N1CCN(c2cc(C(=O)O)nc(N3CCOCC3)c2)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid?
The InChIKey is YUKHGDYNHGYZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-12(21)18-2-4-19(5-3-18)13-10-14(16(22)23)17-15(11-13)20-6-8-24-9-7-20/h10-11H,2-9H2,1H3,(H,22,23).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid?
4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-6-morpholin-4-ylpyridine-2-carboxylic acid is sourced from PubChem (CID 68515493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).