4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one

C14H21N5O3 — CID 122151740

IUPAC4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(=O)c1cn(CC(=O)N2CCNC(=O)C2CC(C)C)nn1
InChIInChI=1S/C14H21N5O3/c1-9(2)6-12-14(22)15-4-5-19(12)13(21)8-18-7-11(10(3)20)16-17-18/h7,9,12H,4-6,8H2,1-3H3,(H,15,22)
InChIKeyPFOVGZMAFBMORC-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.15
Rot. Bonds5

About 4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one

4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one (PubChem CID 122151740) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
PubChem CID122151740
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
SMILESCC(=O)c1cn(CC(=O)N2CCNC(=O)C2CC(C)C)nn1
InChIInChI=1S/C14H21N5O3/c1-9(2)6-12-14(22)15-4-5-19(12)13(21)8-18-7-11(10(3)20)16-17-18/h7,9,12H,4-6,8H2,1-3H3,(H,15,22)
InChIKeyPFOVGZMAFBMORC-UHFFFAOYSA-N
XLogP-0.15
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-methyl-3-oxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66288927
4-(5-tert-butyl-1,2-oxazole-3-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 146124789
1-[2-(2-ethyl-3,5-dioxopiperazin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66288109
4-[2-(3,6-dihydro-2H-pyran-4-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one
CID 122153522
1-[2-(dimethylsulfamoylamino)acetyl]-2-(2-methylpropyl)-3-oxopiperazine
CID 126816919
methyl 4-[2-[(2S)-2-(2-methylpropyl)-3-oxopiperazin-1-yl]-2-oxoethyl]benzoate
CID 125144565
2-(4-acetyltriazol-1-yl)-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 136546047
4-(2,2-difluorocyclopropanecarbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 122151737
(3R)-4-(2-cyclopropylpyrimidine-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 125144591
(3S)-4-(1-methylimidazole-4-carbonyl)-3-(2-methylpropyl)-1,4-diazepan-2-one
CID 164635145
4-(2-tert-butyl-1,3-thiazole-5-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 138997378
4-(5-cyclopropyl-1,3-oxazole-4-carbonyl)-3-(2-methylpropyl)piperazin-2-one
CID 131960398

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one?
The IUPAC name of 4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one (CID 122151740) is 4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one.
What is the SMILES notation for 4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one?
The canonical SMILES for 4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one is CC(=O)c1cn(CC(=O)N2CCNC(=O)C2CC(C)C)nn1.
What is the InChIKey of 4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one?
The InChIKey is PFOVGZMAFBMORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-9(2)6-12-14(22)15-4-5-19(12)13(21)8-18-7-11(10(3)20)16-17-18/h7,9,12H,4-6,8H2,1-3H3,(H,15,22).
What are the key properties of 4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one?
4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one has a molecular weight of 307.35 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-acetyltriazol-1-yl)acetyl]-3-(2-methylpropyl)piperazin-2-one is sourced from PubChem (CID 122151740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).