N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C15H22N4O2 — CID 108506944

IUPACN-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)17-13(20)14(21)19-10-8-18(9-11-19)12-6-4-5-7-16-12/h4-7H,8-11H2,1-3H3,(H,17,20)
InChIKeyBAQLMCDAEYNSPS-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.64
Rot. Bonds1

About N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 108506944) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID108506944
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCC(C)(C)NC(=O)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H22N4O2/c1-15(2,3)17-13(20)14(21)19-10-8-18(9-11-19)12-6-4-5-7-16-12/h4-7H,8-11H2,1-3H3,(H,17,20)
InChIKeyBAQLMCDAEYNSPS-UHFFFAOYSA-N
XLogP0.64
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
N-(2-hydroxyethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108528029
(2S)-2-amino-3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 61148077
N-(4-fluorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108512673
N-(2,6-dichlorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108532324
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
N-(2-amino-2-sulfanylideneethyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 43316315
2-(ethylamino)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 62832845
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108957240
2,2,2-trichloro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 885984
1-(4-pyridin-2-yl-1,4-diazepan-1-yl)ethanone
CID 122598259

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 108506944) is N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is CC(C)(C)NC(=O)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is BAQLMCDAEYNSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-15(2,3)17-13(20)14(21)19-10-8-18(9-11-19)12-6-4-5-7-16-12/h4-7H,8-11H2,1-3H3,(H,17,20).
What are the key properties of N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108506944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).