2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone

C12H17N3O — CID 107147060

IUPAC2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
SMILESCc1cccnc1CC(=O)N1CCNCC1
InChIInChI=1S/C12H17N3O/c1-10-3-2-4-14-11(10)9-12(16)15-7-5-13-6-8-15/h2-4,13H,5-9H2,1H3
InChIKeyUKYAPRYDYKERNF-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.36
Rot. Bonds2

About 2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone

2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone (PubChem CID 107147060) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
PubChem CID107147060
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
SMILESCc1cccnc1CC(=O)N1CCNCC1
InChIInChI=1S/C12H17N3O/c1-10-3-2-4-14-11(10)9-12(16)15-7-5-13-6-8-15/h2-4,13H,5-9H2,1H3
InChIKeyUKYAPRYDYKERNF-UHFFFAOYSA-N
XLogP0.36
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazepan-1-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107147061
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 107148490
2-[(3-methyl-2-pyridinyl)amino]-1-piperazin-1-ylethanone
CID 62255323
N-ethyl-1-[2-(3-methyl-2-pyridinyl)acetyl]piperazine-2-carboxamide
CID 107148474
2-(3-methyl-2-pyridinyl)-N-[(3S)-piperidin-3-yl]acetamide
CID 107148570
1-[2-(3-methyl-2-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 107147077
3-(2,6-dimethylphenyl)-1-piperazin-1-ylpropan-1-one
CID 110833337
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
piperazin-1-yl-[3-(sulfanylmethyl)-2-pyridinyl]methanone
CID 82510958
2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone
CID 110833761
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone (CID 107147060) is 2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone is Cc1cccnc1CC(=O)N1CCNCC1.
What is the InChIKey of 2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone?
The InChIKey is UKYAPRYDYKERNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-10-3-2-4-14-11(10)9-12(16)15-7-5-13-6-8-15/h2-4,13H,5-9H2,1H3.
What are the key properties of 2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone?
2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone has a molecular weight of 219.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 107147060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).