1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

C14H24N4O2 — CID 95613155

IUPAC1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCC[C@H](O)CN1CCN(C(=O)Cn2cc(C)cn2)CC1
InChIInChI=1S/C14H24N4O2/c1-3-13(19)10-16-4-6-17(7-5-16)14(20)11-18-9-12(2)8-15-18/h8-9,13,19H,3-7,10-11H2,1-2H3/t13-/m0/s1
InChIKeyRYMUGHYAUGMFDZ-ZDUSSCGKSA-N
MW280.37 g/mol
LogP0.11
Rot. Bonds5

About 1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 95613155) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID95613155
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCC[C@H](O)CN1CCN(C(=O)Cn2cc(C)cn2)CC1
InChIInChI=1S/C14H24N4O2/c1-3-13(19)10-16-4-6-17(7-5-16)14(20)11-18-9-12(2)8-15-18/h8-9,13,19H,3-7,10-11H2,1-2H3/t13-/m0/s1
InChIKeyRYMUGHYAUGMFDZ-ZDUSSCGKSA-N
XLogP0.11
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 19527668
1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 95340534
1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
CID 156799354
1-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 70767388
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95346075
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95346076
3-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 56803097
1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 55213875
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 56818085
2-(4-methylpyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 146126134
[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 95613160
1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 19527683

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 95613155) is 1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is CC[C@H](O)CN1CCN(C(=O)Cn2cc(C)cn2)CC1.
What is the InChIKey of 1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is RYMUGHYAUGMFDZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-3-13(19)10-16-4-6-17(7-5-16)14(20)11-18-9-12(2)8-15-18/h8-9,13,19H,3-7,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 280.37 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 95613155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).