2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one

C15H21N3O2 — CID 84550110

IUPAC2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)14(20)18-9-7-17(8-10-18)13(19)12-5-4-6-16-11-12/h4-6,11H,7-10H2,1-3H3
InChIKeyZIBUMTWIEJSKDX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.41
Rot. Bonds1

About 2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 84550110) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID84550110
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
SMILESCC(C)(C)C(=O)N1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C15H21N3O2/c1-15(2,3)14(20)18-9-7-17(8-10-18)13(19)12-5-4-6-16-11-12/h4-6,11H,7-10H2,1-3H3
InChIKeyZIBUMTWIEJSKDX-UHFFFAOYSA-N
XLogP1.41
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-phenyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 38453759
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
N'-hydroxy-2-methyl-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanimidamide
CID 77012824
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 84550235
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one (CID 84550110) is 2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one is CC(C)(C)C(=O)N1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is ZIBUMTWIEJSKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(2,3)14(20)18-9-7-17(8-10-18)13(19)12-5-4-6-16-11-12/h4-6,11H,7-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 275.35 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 84550110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).