2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone

C12H17N3O — CID 116920037

IUPAC2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone
SMILESCN1CCNC(CC(=O)c2ccccn2)C1
InChIInChI=1S/C12H17N3O/c1-15-7-6-13-10(9-15)8-12(16)11-4-2-3-5-14-11/h2-5,10,13H,6-9H2,1H3
InChIKeyGJTASQGDVSWVOV-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.56
Rot. Bonds3

About 2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone

2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone (PubChem CID 116920037) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone
PubChem CID116920037
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone
SMILESCN1CCNC(CC(=O)c2ccccn2)C1
InChIInChI=1S/C12H17N3O/c1-15-7-6-13-10(9-15)8-12(16)11-4-2-3-5-14-11/h2-5,10,13H,6-9H2,1H3
InChIKeyGJTASQGDVSWVOV-UHFFFAOYSA-N
XLogP0.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazin-2-yl)-1-phenylethanone
CID 116919993
2-piperidin-2-yl-1-pyridin-2-ylethanone
CID 79539171
2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone
CID 116920038
2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 116920016
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
2-[methyl-[[(2R)-piperidin-2-yl]methyl]amino]-1-pyridin-2-ylethanone
CID 97164226
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71643824
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 104955318
2-[(3R)-3-aminopyrrolidin-1-yl]-1-pyridin-2-ylethanone;hydrochloride
CID 71643823
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106610741
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71649464
2-(4-methylpiperazin-2-yl)-N-(1-methylpiperidin-4-yl)acetamide
CID 115178258

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone?
The IUPAC name of 2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone (CID 116920037) is 2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone.
What is the SMILES notation for 2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone?
The canonical SMILES for 2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone is CN1CCNC(CC(=O)c2ccccn2)C1.
What is the InChIKey of 2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone?
The InChIKey is GJTASQGDVSWVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15-7-6-13-10(9-15)8-12(16)11-4-2-3-5-14-11/h2-5,10,13H,6-9H2,1H3.
What are the key properties of 2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone?
2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone has a molecular weight of 219.29 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone is sourced from PubChem (CID 116920037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).