4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one

C114H233N23O9 — CID 159660905

IUPAC4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)CCC(=O)N1CCN(C(C)C)CC1.CC(C)CN(C)C(=O)N1CCN(C(C)C)CC1.CC(C)N(C)C(=O)N1CCN(C(C)(C)C)CC1.CCCC(=O)N1CCN(C(C)(C)C)CC1.CCN(C)C(=O)N1CCN(C(C)(C)C)CC1.CCN(CC)C(=O)N1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O.3C13H27N3O.2C13H26N2O.C12H25N3O.C12H24N2O.C11H23N3O/c1-13(2,3)11-12(17)15-7-9-16(10-8-15)14(4,5)6;1-11(2)14(6)12(17)15-7-9-16(10-8-15)13(3,4)5;1-11(2)10-14(5)13(17)16-8-6-15(7-9-16)12(3)4;1-6-14(7-2)12(17)15-8-10-16(11-9-15)13(3,4)5;1-11(2)10-12(16)14-6-8-15(9-7-14)13(3,4)5;1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4;1-6-13(5)11(16)14-7-9-15(10-8-14)12(2,3)4;1-5-6-11(15)13-7-9-14(10-8-13)12(2,3)4;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4)5/h7-11H2,1-6H3;11H,7-10H2,1-6H3;11-12H,6-10H2,1-5H3;6-11H2,1-5H3;11H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3;6-10H2,1-5H3;5-10H2,1-4H3;6-9H2,1-5H3
InChIKeyMSUFGXWFMFYBAS-UHFFFAOYSA-N
MW2070.27 g/mol
LogP16.05
Rot. Bonds16

About 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one

4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one (PubChem CID 159660905) has the molecular formula C114H233N23O9 and a molecular weight of 2070.27 g/mol. Its IUPAC name is 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
PubChem CID159660905
Molecular FormulaC114H233N23O9
Molecular Weight2070.27 g/mol
Exact Mass2068.85
IUPAC Name4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)(C)CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)CCC(=O)N1CCN(C(C)C)CC1.CC(C)CN(C)C(=O)N1CCN(C(C)C)CC1.CC(C)N(C)C(=O)N1CCN(C(C)(C)C)CC1.CCCC(=O)N1CCN(C(C)(C)C)CC1.CCN(C)C(=O)N1CCN(C(C)(C)C)CC1.CCN(CC)C(=O)N1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H28N2O.3C13H27N3O.2C13H26N2O.C12H25N3O.C12H24N2O.C11H23N3O/c1-13(2,3)11-12(17)15-7-9-16(10-8-15)14(4,5)6;1-11(2)14(6)12(17)15-7-9-16(10-8-15)13(3,4)5;1-11(2)10-14(5)13(17)16-8-6-15(7-9-16)12(3)4;1-6-14(7-2)12(17)15-8-10-16(11-9-15)13(3,4)5;1-11(2)10-12(16)14-6-8-15(9-7-14)13(3,4)5;1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4;1-6-13(5)11(16)14-7-9-15(10-8-14)12(2,3)4;1-5-6-11(15)13-7-9-14(10-8-13)12(2,3)4;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4)5/h7-11H2,1-6H3;11H,7-10H2,1-6H3;11-12H,6-10H2,1-5H3;6-11H2,1-5H3;11H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3;6-10H2,1-5H3;5-10H2,1-4H3;6-9H2,1-5H3
InChIKeyMSUFGXWFMFYBAS-UHFFFAOYSA-N
XLogP16.05
TPSA228.15 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms146
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002070.27
LogP ≤ 516.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one (CID 159660905) is 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one is CC(C)(C)CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)CC(=O)N1CCN(C(C)(C)C)CC1.CC(C)CCC(=O)N1CCN(C(C)C)CC1.CC(C)CN(C)C(=O)N1CCN(C(C)C)CC1.CC(C)N(C)C(=O)N1CCN(C(C)(C)C)CC1.CCCC(=O)N1CCN(C(C)(C)C)CC1.CCN(C)C(=O)N1CCN(C(C)(C)C)CC1.CCN(CC)C(=O)N1CCN(C(C)(C)C)CC1.CN(C)C(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The InChIKey is MSUFGXWFMFYBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O.3C13H27N3O.2C13H26N2O.C12H25N3O.C12H24N2O.C11H23N3O/c1-13(2,3)11-12(17)15-7-9-16(10-8-15)14(4,5)6;1-11(2)14(6)12(17)15-7-9-16(10-8-15)13(3,4)5;1-11(2)10-14(5)13(17)16-8-6-15(7-9-16)12(3)4;1-6-14(7-2)12(17)15-8-10-16(11-9-15)13(3,4)5;1-11(2)10-12(16)14-6-8-15(9-7-14)13(3,4)5;1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4;1-6-13(5)11(16)14-7-9-15(10-8-14)12(2,3)4;1-5-6-11(15)13-7-9-14(10-8-13)12(2,3)4;1-11(2,3)14-8-6-13(7-9-14)10(15)12(4)5/h7-11H2,1-6H3;11H,7-10H2,1-6H3;11-12H,6-10H2,1-5H3;6-11H2,1-5H3;11H,6-10H2,1-5H3;11-12H,5-10H2,1-4H3;6-10H2,1-5H3;5-10H2,1-4H3;6-9H2,1-5H3.
What are the key properties of 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one has a molecular weight of 2070.27 g/mol, XLogP of 16.05, 16 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,N-diethylpiperazine-1-carboxamide;4-tert-butyl-N,N-dimethylpiperazine-1-carboxamide;4-tert-butyl-N-ethyl-N-methylpiperazine-1-carboxamide;4-tert-butyl-N-methyl-N-propan-2-ylpiperazine-1-carboxamide;1-(4-tert-butylpiperazin-1-yl)butan-1-one;1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-1-one;1-(4-tert-butylpiperazin-1-yl)-3-methylbutan-1-one;N-methyl-N-(2-methylpropyl)-4-propan-2-ylpiperazine-1-carboxamide;4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 159660905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).