2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone

C100H198N22O8 — CID 158750647

IUPAC2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C(=O)C2CC2)CC1.CC(C)(C)N1CCN(C(=O)C2CCNCC2)CC1.CC(C)(C)N1CCNCC1.CCCC(=O)N1CCN(C(C)(C)C)CC1.CN(C)CCC(=O)N1CCN(C(C)(C)C)CC1.CN1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H30N4O2.C15H30N4O.C14H27N3O.C13H27N3O.C12H22N2O.C12H24N2O.C10H20N2O.C8H18N2/c1-14(21)18-7-5-17(6-8-18)13-15(22)19-9-11-20(12-10-19)16(2,3)4;1-15(2,3)19-11-9-18(10-12-19)14(20)13-17-7-5-16(4)6-8-17;1-14(2,3)17-10-8-16(9-11-17)13(18)12-4-6-15-7-5-12;1-13(2,3)16-10-8-15(9-11-16)12(17)6-7-14(4)5;1-12(2,3)14-8-6-13(7-9-14)11(15)10-4-5-10;1-5-6-11(15)13-7-9-14(10-8-13)12(2,3)4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-8(2,3)10-6-4-9-5-7-10/h5-13H2,1-4H3;5-13H2,1-4H3;12,15H,4-11H2,1-3H3;6-11H2,1-5H3;10H,4-9H2,1-3H3;5-10H2,1-4H3;5-8H2,1-4H3;9H,4-7H2,1-3H3
InChIKeyINKZKRCVOZYSIG-UHFFFAOYSA-N
MW1836.83 g/mol
LogP6.79
Rot. Bonds11

About 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone

2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone (PubChem CID 158750647) has the molecular formula C100H198N22O8 and a molecular weight of 1836.83 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone
PubChem CID158750647
Molecular FormulaC100H198N22O8
Molecular Weight1836.83 g/mol
Exact Mass1835.58
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone
SMILESCC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C(=O)C2CC2)CC1.CC(C)(C)N1CCN(C(=O)C2CCNCC2)CC1.CC(C)(C)N1CCNCC1.CCCC(=O)N1CCN(C(C)(C)C)CC1.CN(C)CCC(=O)N1CCN(C(C)(C)C)CC1.CN1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1
InChIInChI=1S/C16H30N4O2.C15H30N4O.C14H27N3O.C13H27N3O.C12H22N2O.C12H24N2O.C10H20N2O.C8H18N2/c1-14(21)18-7-5-17(6-8-18)13-15(22)19-9-11-20(12-10-19)16(2,3)4;1-15(2,3)19-11-9-18(10-12-19)14(20)13-17-7-5-16(4)6-8-17;1-14(2,3)17-10-8-16(9-11-17)13(18)12-4-6-15-7-5-12;1-13(2,3)16-10-8-15(9-11-16)12(17)6-7-14(4)5;1-12(2,3)14-8-6-13(7-9-14)11(15)10-4-5-10;1-5-6-11(15)13-7-9-14(10-8-13)12(2,3)4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-8(2,3)10-6-4-9-5-7-10/h5-13H2,1-4H3;5-13H2,1-4H3;12,15H,4-11H2,1-3H3;6-11H2,1-5H3;10H,4-9H2,1-3H3;5-10H2,1-4H3;5-8H2,1-4H3;9H,4-7H2,1-3H3
InChIKeyINKZKRCVOZYSIG-UHFFFAOYSA-N
XLogP6.79
TPSA225.42 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms130
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001836.83
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone (CID 158750647) is 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone is CC(=O)N1CCN(C(C)(C)C)CC1.CC(=O)N1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1.CC(C)(C)N1CCN(C(=O)C2CC2)CC1.CC(C)(C)N1CCN(C(=O)C2CCNCC2)CC1.CC(C)(C)N1CCNCC1.CCCC(=O)N1CCN(C(C)(C)C)CC1.CN(C)CCC(=O)N1CCN(C(C)(C)C)CC1.CN1CCN(CC(=O)N2CCN(C(C)(C)C)CC2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone?
The InChIKey is INKZKRCVOZYSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2.C15H30N4O.C14H27N3O.C13H27N3O.C12H22N2O.C12H24N2O.C10H20N2O.C8H18N2/c1-14(21)18-7-5-17(6-8-18)13-15(22)19-9-11-20(12-10-19)16(2,3)4;1-15(2,3)19-11-9-18(10-12-19)14(20)13-17-7-5-16(4)6-8-17;1-14(2,3)17-10-8-16(9-11-17)13(18)12-4-6-15-7-5-12;1-13(2,3)16-10-8-15(9-11-16)12(17)6-7-14(4)5;1-12(2,3)14-8-6-13(7-9-14)11(15)10-4-5-10;1-5-6-11(15)13-7-9-14(10-8-13)12(2,3)4;1-9(13)11-5-7-12(8-6-11)10(2,3)4;1-8(2,3)10-6-4-9-5-7-10/h5-13H2,1-4H3;5-13H2,1-4H3;12,15H,4-11H2,1-3H3;6-11H2,1-5H3;10H,4-9H2,1-3H3;5-10H2,1-4H3;5-8H2,1-4H3;9H,4-7H2,1-3H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone?
2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone has a molecular weight of 1836.83 g/mol, XLogP of 6.79, 11 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-1-(4-tert-butylpiperazin-1-yl)ethanone;1-tert-butylpiperazine;1-(4-tert-butylpiperazin-1-yl)butan-1-one;(4-tert-butylpiperazin-1-yl)-cyclopropylmethanone;1-(4-tert-butylpiperazin-1-yl)-3-(dimethylamino)propan-1-one;1-(4-tert-butylpiperazin-1-yl)ethanone;1-(4-tert-butylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;(4-tert-butylpiperazin-1-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 158750647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).