tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate

C73H148N14O9 — CID 158644360

IUPACtert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate
SMILESCC(C)(C)NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.CCN(CC)C(=O)CCC(C)(C)C.CCN(CC)CCCC(C)(C)C.CN1CCC(N2CCN(C(=O)NC(C)(C)C)CC2)CC1.CN1CCN(C(=O)CC(C)(C)C)CC1.COC(=O)N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H30N4O.C14H27N3O3.C11H21N3O3.C11H22N2O.C11H23NO.C11H25N/c1-15(2,3)16-14(20)19-11-9-18(10-12-19)13-5-7-17(4)8-6-13;1-13(2,3)15-11(18)16-7-9-17(10-8-16)12(19)20-14(4,5)6;1-11(2,3)12-9(15)13-5-7-14(8-6-13)10(16)17-4;1-11(2,3)9-10(14)13-7-5-12(4)6-8-13;1-6-12(7-2)10(13)8-9-11(3,4)5;1-6-12(7-2)10-8-9-11(3,4)5/h13H,5-12H2,1-4H3,(H,16,20);7-10H2,1-6H3,(H,15,18);5-8H2,1-4H3,(H,12,15);5-9H2,1-4H3;6-9H2,1-5H3;6-10H2,1-5H3
InChIKeyIATXRRWOPUSFLJ-UHFFFAOYSA-N
MW1366.08 g/mol
LogP11.16
Rot. Bonds11

About tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate

tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate (PubChem CID 158644360) has the molecular formula C73H148N14O9 and a molecular weight of 1366.08 g/mol. Its IUPAC name is tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate
PubChem CID158644360
Molecular FormulaC73H148N14O9
Molecular Weight1366.08 g/mol
Exact Mass1365.16
IUPAC Nametert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate
SMILESCC(C)(C)NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.CCN(CC)C(=O)CCC(C)(C)C.CCN(CC)CCCC(C)(C)C.CN1CCC(N2CCN(C(=O)NC(C)(C)C)CC2)CC1.CN1CCN(C(=O)CC(C)(C)C)CC1.COC(=O)N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C15H30N4O.C14H27N3O3.C11H21N3O3.C11H22N2O.C11H23NO.C11H25N/c1-15(2,3)16-14(20)19-11-9-18(10-12-19)13-5-7-17(4)8-6-13;1-13(2,3)15-11(18)16-7-9-17(10-8-16)12(19)20-14(4,5)6;1-11(2,3)12-9(15)13-5-7-14(8-6-13)10(16)17-4;1-11(2,3)9-10(14)13-7-5-12(4)6-8-13;1-6-12(7-2)10(13)8-9-11(3,4)5;1-6-12(7-2)10-8-9-11(3,4)5/h13H,5-12H2,1-4H3,(H,16,20);7-10H2,1-6H3,(H,15,18);5-8H2,1-4H3,(H,12,15);5-9H2,1-4H3;6-9H2,1-5H3;6-10H2,1-5H3
InChIKeyIATXRRWOPUSFLJ-UHFFFAOYSA-N
XLogP11.16
TPSA209.68 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001366.08
LogP ≤ 511.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methane;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate
CID 157484804
4-acetyl-N-tert-butylpiperazine-1-carboxamide;1-(4-acetylpiperazin-1-yl)-2,2-dimethylpropan-1-one;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;2,2-dimethyl-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one;2,2-dimethyl-1-piperazin-1-ylpropan-1-one;2,2-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate
CID 157894964
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
tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one
CID 161526237

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate (CID 158644360) is tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate is CC(C)(C)NC(=O)N1CCN(C(=O)OC(C)(C)C)CC1.CCN(CC)C(=O)CCC(C)(C)C.CCN(CC)CCCC(C)(C)C.CN1CCC(N2CCN(C(=O)NC(C)(C)C)CC2)CC1.CN1CCN(C(=O)CC(C)(C)C)CC1.COC(=O)N1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate?
The InChIKey is IATXRRWOPUSFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O.C14H27N3O3.C11H21N3O3.C11H22N2O.C11H23NO.C11H25N/c1-15(2,3)16-14(20)19-11-9-18(10-12-19)13-5-7-17(4)8-6-13;1-13(2,3)15-11(18)16-7-9-17(10-8-16)12(19)20-14(4,5)6;1-11(2,3)12-9(15)13-5-7-14(8-6-13)10(16)17-4;1-11(2,3)9-10(14)13-7-5-12(4)6-8-13;1-6-12(7-2)10(13)8-9-11(3,4)5;1-6-12(7-2)10-8-9-11(3,4)5/h13H,5-12H2,1-4H3,(H,16,20);7-10H2,1-6H3,(H,15,18);5-8H2,1-4H3,(H,12,15);5-9H2,1-4H3;6-9H2,1-5H3;6-10H2,1-5H3.
What are the key properties of tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate?
tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate has a molecular weight of 1366.08 g/mol, XLogP of 11.16, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate;N-tert-butyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide;N,N-diethyl-4,4-dimethylpentanamide;N,N-diethyl-4,4-dimethylpentan-1-amine;3,3-dimethyl-1-(4-methylpiperazin-1-yl)butan-1-one;methyl 4-(tert-butylcarbamoyl)piperazine-1-carboxylate is sourced from PubChem (CID 158644360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).