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

C16H26N4O2 — CID 72842133

IUPAC1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCN(C2CCOCC2)CC1)n1cccn1
InChIInChI=1S/C16H26N4O2/c1-2-15(20-7-3-6-17-20)16(21)19-10-8-18(9-11-19)14-4-12-22-13-5-14/h3,6-7,14-15H,2,4-5,8-13H2,1H3
InChIKeyAAUWIKYVZZCBSE-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.16
Rot. Bonds4

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

1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one (PubChem CID 72842133) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
PubChem CID72842133
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one
SMILESCCC(C(=O)N1CCN(C2CCOCC2)CC1)n1cccn1
InChIInChI=1S/C16H26N4O2/c1-2-15(20-7-3-6-17-20)16(21)19-10-8-18(9-11-19)14-4-12-22-13-5-14/h3,6-7,14-15H,2,4-5,8-13H2,1H3
InChIKeyAAUWIKYVZZCBSE-UHFFFAOYSA-N
XLogP1.16
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The IUPAC name of 1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one (CID 72842133) is 1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The canonical SMILES for 1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one is CCC(C(=O)N1CCN(C2CCOCC2)CC1)n1cccn1.
What is the InChIKey of 1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
The InChIKey is AAUWIKYVZZCBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-15(20-7-3-6-17-20)16(21)19-10-8-18(9-11-19)14-4-12-22-13-5-14/h3,6-7,14-15H,2,4-5,8-13H2,1H3.
What are the key properties of 1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one?
1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one has a molecular weight of 306.41 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(oxan-4-yl)piperazin-1-yl]-2-pyrazol-1-ylbutan-1-one is sourced from PubChem (CID 72842133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).