1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

C15H24N4O — CID 43462094

IUPAC1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C15H24N4O/c1-15(2,3)11-13(20)18-7-9-19(10-8-18)14-12(16)5-4-6-17-14/h4-6H,7-11,16H2,1-3H3
InChIKeyJVRDSIJWEGAQSZ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.75
Rot. Bonds2

About 1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one

1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 43462094) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID43462094
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(c2ncccc2N)CC1
InChIInChI=1S/C15H24N4O/c1-15(2,3)11-13(20)18-7-9-19(10-8-18)14-12(16)5-4-6-17-14/h4-6H,7-11,16H2,1-3H3
InChIKeyJVRDSIJWEGAQSZ-UHFFFAOYSA-N
XLogP1.75
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
4-(3-amino-2-pyridinyl)-N-ethylpiperazine-1-carboxamide
CID 43384277
[4-(3-amino-2-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000236
1-[4-(4-aminophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 43461583
3,3-dimethyl-1-[4-(6-pyridin-2-ylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 121058143
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92756865
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 3283433
1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-hydroxy-5,5-dimethylhexan-1-one
CID 126804842
3,3-dimethyl-1-(4-phenyl-1,4-diazepan-1-yl)butan-1-one
CID 110873807
ethyl 2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]butanoate
CID 64662976
methyl N-[4-(3-amino-2-pyridinyl)piperazin-1-yl]sulfonylcarbamate
CID 114461595

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one (CID 43462094) is 1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCN(c2ncccc2N)CC1.
What is the InChIKey of 1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is JVRDSIJWEGAQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(2,3)11-13(20)18-7-9-19(10-8-18)14-12(16)5-4-6-17-14/h4-6H,7-11,16H2,1-3H3.
What are the key properties of 1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 276.38 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 43462094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).