3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

C15H23N3O — CID 17217465

IUPAC3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H23N3O/c1-15(2,3)12-14(19)18-10-8-17(9-11-18)13-6-4-5-7-16-13/h4-7H,8-12H2,1-3H3
InChIKeyAOGWTFWCBDLDTD-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.17
Rot. Bonds2

About 3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one

3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 17217465) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
PubChem CID17217465
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C15H23N3O/c1-15(2,3)12-14(19)18-10-8-17(9-11-18)13-6-4-5-7-16-13/h4-7H,8-12H2,1-3H3
InChIKeyAOGWTFWCBDLDTD-UHFFFAOYSA-N
XLogP2.17
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 121058143
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43462094
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108814544
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
1-(4-acetylpiperazin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108508501
2-(ethylamino)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 62832845
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of 3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one (CID 17217465) is 3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for 3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is CC(C)(C)CC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is AOGWTFWCBDLDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)12-14(19)18-10-8-17(9-11-18)13-6-4-5-7-16-13/h4-7H,8-12H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one?
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 17217465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).