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

C16H25N3O — CID 163369559

IUPAC1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one
SMILESCCN1CCN(Cc2cccc(C(=O)C(C)C)n2)CC1
InChIInChI=1S/C16H25N3O/c1-4-18-8-10-19(11-9-18)12-14-6-5-7-15(17-14)16(20)13(2)3/h5-7,13H,4,8-12H2,1-3H3
InChIKeyLLNUOJULXPYJFB-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.06
Rot. Bonds5

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

1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one (PubChem CID 163369559) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one
PubChem CID163369559
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one
SMILESCCN1CCN(Cc2cccc(C(=O)C(C)C)n2)CC1
InChIInChI=1S/C16H25N3O/c1-4-18-8-10-19(11-9-18)12-14-6-5-7-15(17-14)16(20)13(2)3/h5-7,13H,4,8-12H2,1-3H3
InChIKeyLLNUOJULXPYJFB-UHFFFAOYSA-N
XLogP2.06
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-[6-[(4-propan-2-ylpiperazin-1-yl)methyl]-2-pyridinyl]propan-1-one
CID 176942108
[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]methanamine
CID 106905629
6-[(4-butan-2-ylpiperazin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909093
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
6-(pyrrolidin-1-ylmethyl)pyridine-2-carboxylic acid;dihydrochloride
CID 56773487
methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
6-(piperidin-1-ylmethyl)pyridine-2-carboxamide
CID 66911251
6-[(4,4-dimethylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 106904146
2-methyl-1-(6-pyrrolidin-1-yl-2-pyridinyl)propan-1-one
CID 83888265
[6-[[4,7-bis[[6-[hydroxy(methyl)phosphoryl]-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-2-pyridinyl]-methylphosphinic acid
CID 102293149
6-[[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
CID 166721505
6-[[16-[[6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164597861

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one?
The IUPAC name of 1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one (CID 163369559) is 1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one is CCN1CCN(Cc2cccc(C(=O)C(C)C)n2)CC1.
What is the InChIKey of 1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one?
The InChIKey is LLNUOJULXPYJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-18-8-10-19(11-9-18)12-14-6-5-7-15(17-14)16(20)13(2)3/h5-7,13H,4,8-12H2,1-3H3.
What are the key properties of 1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one?
1-[6-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-2-methylpropan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.06, 5 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)methyl]-2-pyridinyl]-2-methylpropan-1-one is sourced from PubChem (CID 163369559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).