1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one

C15H23N3O — CID 102546296

IUPAC1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(CC)CC2)nc1C
InChIInChI=1S/C15H23N3O/c1-4-14(19)13-6-7-15(16-12(13)3)18-10-8-17(5-2)9-11-18/h6-7H,4-5,8-11H2,1-3H3
InChIKeyDMEWYHFQXUWTQV-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.12
Rot. Bonds4

About 1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one

1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one (PubChem CID 102546296) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one
PubChem CID102546296
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1ccc(N2CCN(CC)CC2)nc1C
InChIInChI=1S/C15H23N3O/c1-4-14(19)13-6-7-15(16-12(13)3)18-10-8-17(5-2)9-11-18/h6-7H,4-5,8-11H2,1-3H3
InChIKeyDMEWYHFQXUWTQV-UHFFFAOYSA-N
XLogP2.12
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one with MolForge

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Related Compounds

1-(2-methyl-6-piperidin-1-yl-3-pyridinyl)propan-1-one
CID 102546217
1-(5-bromo-6-methyl-2-pyridinyl)-4-ethylpiperazine
CID 75487705
6-(azepan-1-yl)-2-methylpyridine-3-carboxylic acid
CID 79886015
2-methyl-6-morpholin-4-ylpyridine-3-carboxylic acid
CID 67287742
2-methyl-6-[4-(2,4,4-trimethylpentan-2-yl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 167877090
1-[4-(5-amino-6-methyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 82331726
6-(4-ethylpiperazine-1-carbonyl)-2-methylpyridine-3-carboxylic acid
CID 43453206
1-[4-(4-ethylpiperazin-1-yl)-5-fluoro-2-methylphenyl]propan-1-one
CID 975939
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
ethyl 6-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55744407
N-[(1S)-1-[6-(4-ethylpiperazin-1-yl)-2-pyridinyl]-2-hydroxyethyl]propanamide
CID 175743984
methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
CID 133432159

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one (CID 102546296) is 1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one is CCC(=O)c1ccc(N2CCN(CC)CC2)nc1C.
What is the InChIKey of 1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one?
The InChIKey is DMEWYHFQXUWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-4-14(19)13-6-7-15(16-12(13)3)18-10-8-17(5-2)9-11-18/h6-7H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one?
1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one has a molecular weight of 261.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-ethylpiperazin-1-yl)-2-methyl-3-pyridinyl]propan-1-one is sourced from PubChem (CID 102546296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).