1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone

C15H24N4O2 — CID 115949166

IUPAC1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(C)(C)OCC(=O)N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-11-14(20)19-8-6-18(7-9-19)12-4-5-13(16)17-10-12/h4-5,10H,6-9,11H2,1-3H3,(H2,16,17)
InChIKeyXVJSBQHZRFSQMJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.13
Rot. Bonds3

About 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone

1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 115949166) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID115949166
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCC(C)(C)OCC(=O)N1CCN(c2ccc(N)nc2)CC1
InChIInChI=1S/C15H24N4O2/c1-15(2,3)21-11-14(20)19-8-6-18(7-9-19)12-4-5-13(16)17-10-12/h4-5,10H,6-9,11H2,1-3H3,(H2,16,17)
InChIKeyXVJSBQHZRFSQMJ-UHFFFAOYSA-N
XLogP1.13
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-propoxyethanone
CID 107937396
2-[2-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-oxoethoxy]acetic acid
CID 142371904
9-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-9-oxononanamide
CID 142371873
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107000234
tert-butyl 4-(6-amino-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-(6-nitro-3-pyridinyl)piperazine-1-carboxylate
CID 158946312
5-(4-prop-1-en-2-ylpiperazin-1-yl)pyridin-2-amine
CID 176665681
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 43461901
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
tert-butyl 8-(6-amino-3-pyridinyl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 170040628
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950323
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 136573282
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 62921478

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 115949166) is 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone is CC(C)(C)OCC(=O)N1CCN(c2ccc(N)nc2)CC1.
What is the InChIKey of 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is XVJSBQHZRFSQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-15(2,3)21-11-14(20)19-8-6-18(7-9-19)12-4-5-13(16)17-10-12/h4-5,10H,6-9,11H2,1-3H3,(H2,16,17).
What are the key properties of 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 292.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 115949166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).