2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide

C16H24N4O2 — CID 78804240

IUPAC2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H24N4O2/c1-16(2,3)15(22)18-12-14(21)20-10-8-19(9-11-20)13-6-4-5-7-17-13/h4-7H,8-12H2,1-3H3,(H,18,22)
InChIKeyZJFVWVCNTFPJFC-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.89
Rot. Bonds3

About 2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide

2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide (PubChem CID 78804240) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
PubChem CID78804240
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H24N4O2/c1-16(2,3)15(22)18-12-14(21)20-10-8-19(9-11-20)13-6-4-5-7-17-13/h4-7H,8-12H2,1-3H3,(H,18,22)
InChIKeyZJFVWVCNTFPJFC-UHFFFAOYSA-N
XLogP0.89
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
N-[2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 75393207
ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
CID 112994654
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexanecarboxamide
CID 3681923
2,2-dimethyl-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]ethyl]propanamide
CID 29303701
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
2,2-dimethyl-3-oxo-N-propan-2-yl-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108957240
2-[(4-methylphenyl)methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108997062

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide (CID 78804240) is 2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide is CC(C)(C)C(=O)NCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide?
The InChIKey is ZJFVWVCNTFPJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-16(2,3)15(22)18-12-14(21)20-10-8-19(9-11-20)13-6-4-5-7-17-13/h4-7H,8-12H2,1-3H3,(H,18,22).
What are the key properties of 2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide has a molecular weight of 304.39 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 78804240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).