3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one

C18H23N5O2 — CID 45241729

IUPAC3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C18H23N5O2/c1-2-16-17(24)19-10-12-23(16)18(25)15-13-22(21-20-15)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,16H,2,6,9-12H2,1H3,(H,19,24)
InChIKeyQCRCLDRUUJIKMS-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.26
Rot. Bonds6

About 3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one

3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one (PubChem CID 45241729) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one
PubChem CID45241729
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one
SMILESCCC1C(=O)NCCN1C(=O)c1cn(CCCc2ccccc2)nn1
InChIInChI=1S/C18H23N5O2/c1-2-16-17(24)19-10-12-23(16)18(25)15-13-22(21-20-15)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,16H,2,6,9-12H2,1H3,(H,19,24)
InChIKeyQCRCLDRUUJIKMS-UHFFFAOYSA-N
XLogP1.26
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-4-[1-(cyclohexylmethyl)triazole-4-carbonyl]piperazin-2-one
CID 45246636
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25374522
(2R)-2-ethyl-3-oxo-N-[2-(3-phenylpropoxy)phenyl]piperazine-1-carboxamide
CID 125159496
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 42239902
[1-[1-(3-phenylpropyl)triazole-4-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 42112383
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 55218091
(3R)-4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one
CID 98523415
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
(4-phenylmethoxypiperidin-1-yl)-[1-(3-phenylpropyl)triazol-4-yl]methanone
CID 25373504
4-(6-aminopyridine-2-carbonyl)-3-ethylpiperazin-2-one;hydrochloride
CID 119999095
3-phenylpropyl 2-[(2R)-1-(4-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 42426956

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one?
The IUPAC name of 3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one (CID 45241729) is 3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one?
The canonical SMILES for 3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one is CCC1C(=O)NCCN1C(=O)c1cn(CCCc2ccccc2)nn1.
What is the InChIKey of 3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one?
The InChIKey is QCRCLDRUUJIKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-16-17(24)19-10-12-23(16)18(25)15-13-22(21-20-15)11-6-9-14-7-4-3-5-8-14/h3-5,7-8,13,16H,2,6,9-12H2,1H3,(H,19,24).
What are the key properties of 3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one?
3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one has a molecular weight of 341.42 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[1-(3-phenylpropyl)triazole-4-carbonyl]piperazin-2-one is sourced from PubChem (CID 45241729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).