2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide

C15H20N6O2 — CID 118769580

IUPAC2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide
SMILESO=C1CN(CCCNC(=O)Cn2nc3ccccc3n2)CCN1
InChIInChI=1S/C15H20N6O2/c22-14-10-20(9-7-17-14)8-3-6-16-15(23)11-21-18-12-4-1-2-5-13(12)19-21/h1-2,4-5H,3,6-11H2,(H,16,23)(H,17,22)
InChIKeyUWZMOAGKSPFUOP-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.63
Rot. Bonds6

About 2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide

2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide (PubChem CID 118769580) has the molecular formula C15H20N6O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide
PubChem CID118769580
Molecular FormulaC15H20N6O2
Molecular Weight316.36 g/mol
Exact Mass316.16
IUPAC Name2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide
SMILESO=C1CN(CCCNC(=O)Cn2nc3ccccc3n2)CCN1
InChIInChI=1S/C15H20N6O2/c22-14-10-20(9-7-17-14)8-3-6-16-15(23)11-21-18-12-4-1-2-5-13(12)19-21/h1-2,4-5H,3,6-11H2,(H,16,23)(H,17,22)
InChIKeyUWZMOAGKSPFUOP-UHFFFAOYSA-N
XLogP-0.63
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 118770928
2-(2-methylbenzimidazol-1-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392643
4-(1-benzylbenzimidazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide;2,2,2-trifluoroacetic acid
CID 90040330
2-(3-methylphenyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 118792289
2-methyl-N-[3-(3-oxopiperazin-1-yl)propyl]-3H-benzimidazole-5-carboxamide
CID 74245117
5-chloro-N-[3-(3-oxopiperazin-1-yl)propyl]furan-2-carboxamide
CID 118790185
1-(2-fluorophenyl)-2,2-dimethyl-N-[3-(3-oxopiperazin-1-yl)propyl]cyclopropane-1-carboxamide
CID 77089234
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 35410706
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391217
N-(3-piperazin-1-ylpropyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide;dihydrochloride
CID 119393580
4-(3-hydroxy-3-methylbutyl)-N-[3-(3-oxopiperazin-1-yl)propyl]benzamide
CID 56896027
N-[2-(3-oxopiperazin-1-yl)ethyl]tetradecanamide
CID 71345985

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide?
The IUPAC name of 2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide (CID 118769580) is 2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide is O=C1CN(CCCNC(=O)Cn2nc3ccccc3n2)CCN1.
What is the InChIKey of 2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide?
The InChIKey is UWZMOAGKSPFUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c22-14-10-20(9-7-17-14)8-3-6-16-15(23)11-21-18-12-4-1-2-5-13(12)19-21/h1-2,4-5H,3,6-11H2,(H,16,23)(H,17,22).
What are the key properties of 2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide?
2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide has a molecular weight of 316.36 g/mol, XLogP of -0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-2-yl)-N-[3-(3-oxopiperazin-1-yl)propyl]acetamide is sourced from PubChem (CID 118769580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).