2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone

C12H17N3O — CID 116920038

IUPAC2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone
SMILESCN1CCNC(CC(=O)c2cccnc2)C1
InChIInChI=1S/C12H17N3O/c1-15-6-5-14-11(9-15)7-12(16)10-3-2-4-13-8-10/h2-4,8,11,14H,5-7,9H2,1H3
InChIKeyPYKYVHDFTBWECJ-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.56
Rot. Bonds3

About 2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone

2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone (PubChem CID 116920038) 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-3-ylethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone
PubChem CID116920038
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone
SMILESCN1CCNC(CC(=O)c2cccnc2)C1
InChIInChI=1S/C12H17N3O/c1-15-6-5-14-11(9-15)7-12(16)10-3-2-4-13-8-10/h2-4,8,11,14H,5-7,9H2,1H3
InChIKeyPYKYVHDFTBWECJ-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-(4-methylpiperazin-2-yl)-1-pyridin-2-ylethanone
CID 116920037
2-morpholin-3-yl-1-pyridin-3-ylethanone
CID 115777328
N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine
CID 115239388
2-methyl-N-[(4-methylpiperazin-2-yl)methyl]-2-pyridin-3-ylpropan-1-amine
CID 115238821
N-methyl-2-(4-methylpiperazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115239455
2-(4-methylpiperazin-2-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 116920016
2-cycloheptyl-1-pyridin-3-ylethanone
CID 114963158
N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide
CID 115177973
[(3R)-1-methylpyrrolidin-3-yl] pyridine-3-carboxylate
CID 152529548
2-[(2R)-piperidin-2-yl]ethyl pyridine-3-carboxylate
CID 86319798
(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 64978518

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone?
The IUPAC name of 2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone (CID 116920038) is 2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone.
What is the SMILES notation for 2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone?
The canonical SMILES for 2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone is CN1CCNC(CC(=O)c2cccnc2)C1.
What is the InChIKey of 2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone?
The InChIKey is PYKYVHDFTBWECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-15-6-5-14-11(9-15)7-12(16)10-3-2-4-13-8-10/h2-4,8,11,14H,5-7,9H2,1H3.
What are the key properties of 2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone?
2-(4-methylpiperazin-2-yl)-1-pyridin-3-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-3-ylethanone is sourced from PubChem (CID 116920038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).