1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one

C16H25N5O3 — CID 72880842

IUPAC1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCN(C(=O)N2CCOCC2)CC1)n1cccn1
InChIInChI=1S/C16H25N5O3/c1-2-14(21-5-3-4-17-21)15(22)18-6-8-19(9-7-18)16(23)20-10-12-24-13-11-20/h3-5,14H,2,6-13H2,1H3
InChIKeyWPUZYURQWDDTQG-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.43
Rot. Bonds3

About 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one

1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one (PubChem CID 72880842) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
PubChem CID72880842
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCN(C(=O)N2CCOCC2)CC1)n1cccn1
InChIInChI=1S/C16H25N5O3/c1-2-14(21-5-3-4-17-21)15(22)18-6-8-19(9-7-18)16(23)20-10-12-24-13-11-20/h3-5,14H,2,6-13H2,1H3
InChIKeyWPUZYURQWDDTQG-UHFFFAOYSA-N
XLogP0.43
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one (CID 72880842) is 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one is CCC(C(=O)N1CCN(C(=O)N2CCOCC2)CC1)n1cccn1.
What is the InChIKey of 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The InChIKey is WPUZYURQWDDTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-2-14(21-5-3-4-17-21)15(22)18-6-8-19(9-7-18)16(23)20-10-12-24-13-11-20/h3-5,14H,2,6-13H2,1H3.
What are the key properties of 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one has a molecular weight of 335.41 g/mol, XLogP of 0.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(morpholine-4-carbonyl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 72880842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).