2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid

C15H25N3O4 — CID 131892779

IUPAC2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)CCCN2CCCCC2)CC1=O
InChIInChI=1S/C15H25N3O4/c19-13(5-4-8-16-6-2-1-3-7-16)17-9-10-18(12-15(21)22)14(20)11-17/h1-12H2,(H,21,22)
InChIKeyVFKZWCVYTQDWIO-UHFFFAOYSA-N
MW311.38 g/mol
LogP0.01
Rot. Bonds6

About 2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid

2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid (PubChem CID 131892779) has the molecular formula C15H25N3O4 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid
PubChem CID131892779
Molecular FormulaC15H25N3O4
Molecular Weight311.38 g/mol
Exact Mass311.18
IUPAC Name2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)CCCN2CCCCC2)CC1=O
InChIInChI=1S/C15H25N3O4/c19-13(5-4-8-16-6-2-1-3-7-16)17-9-10-18(12-15(21)22)14(20)11-17/h1-12H2,(H,21,22)
InChIKeyVFKZWCVYTQDWIO-UHFFFAOYSA-N
XLogP0.01
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid (CID 131892779) is 2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)CCCN2CCCCC2)CC1=O.
What is the InChIKey of 2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid?
The InChIKey is VFKZWCVYTQDWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4/c19-13(5-4-8-16-6-2-1-3-7-16)17-9-10-18(12-15(21)22)14(20)11-17/h1-12H2,(H,21,22).
What are the key properties of 2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid?
2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid has a molecular weight of 311.38 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(4-piperidin-1-ylbutanoyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 131892779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).