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

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Related Compounds

1-(2,6-Dimethylmorpholin-4-yl)-2-pyrazol-1-ylethanone
CID 51074299
N-(1-cyclopropylpiperidin-4-yl)-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]acetamide
CID 53566207
ethyl 4-[2-(1H-pyrazol-1-yl)butanoyl]-1-piperazinecarboxylate
CID 72939762
1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone
CID 94171767
N-ethyl-1-[2-(4-morpholinyl)ethyl]-6-oxo-N-[2-(1H-pyrazol-1-yl)ethyl]-3-piperidinecarboxamide
CID 24819250
2-(2,6-Dimethylmorpholin-4-yl)-3-methyl-1-(3-pyrazol-1-ylpiperidin-1-yl)butan-1-one
CID 53552119
1-Morpholin-4-yl-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 53623421
(3S)-3-ethyl-4-[4-(1H-pyrazol-1-yl)butanoyl]morpholine
CID 70756061
1-[4-[2-(2,6-Dimethylmorpholin-4-yl)ethoxy]piperidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 75399608
3-[1-[(2S)-2-pyrazol-1-ylbutanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 97151881
2-Pyrazol-1-yl-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 132357951
[(2S,4R)-4-fluoro-1-(2-pyrazol-1-ylethyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 120963322

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).