4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one

C34H66N6O2 — CID 157437984

IUPAC4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one
SMILESCC(C)(C)N1CCC(N2CCN(C(C)(C)C)CC2=O)CC1.CC(C)(C)N1CCC(N2CCN(C(C)(C)C)CC2=O)CC1
InChIInChI=1S/2C17H33N3O/c2*1-16(2,3)18-9-7-14(8-10-18)20-12-11-19(13-15(20)21)17(4,5)6/h2*14H,7-13H2,1-6H3
InChIKeyBRIHDQMFRBIZLH-UHFFFAOYSA-N
MW590.94 g/mol
LogP4.38
Rot. Bonds2

About 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one

4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one (PubChem CID 157437984) has the molecular formula C34H66N6O2 and a molecular weight of 590.94 g/mol. Its IUPAC name is 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one
PubChem CID157437984
Molecular FormulaC34H66N6O2
Molecular Weight590.94 g/mol
Exact Mass590.52
IUPAC Name4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one
SMILESCC(C)(C)N1CCC(N2CCN(C(C)(C)C)CC2=O)CC1.CC(C)(C)N1CCC(N2CCN(C(C)(C)C)CC2=O)CC1
InChIInChI=1S/2C17H33N3O/c2*1-16(2,3)18-9-7-14(8-10-18)20-12-11-19(13-15(20)21)17(4,5)6/h2*14H,7-13H2,1-6H3
InChIKeyBRIHDQMFRBIZLH-UHFFFAOYSA-N
XLogP4.38
TPSA53.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500590.94
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-Methylpiperidin-1-yl)-1-[4-[2-(2-methylpiperidin-1-yl)acetyl]piperazin-1-yl]ethanone
CID 3226817
1-Piperidin-1-yl-2-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 3229558
2-(1-Methylpiperidin-1-ium-1-yl)-1-[4-[2-(1-methylpiperidin-1-ium-1-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 121529
2-Piperidin-1-yl-1-[4-(3-piperidin-1-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 24842222
N,N,N',N'-tetrakis(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
CID 19834314
N-[3-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54338408
N-[6-[acetyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-2-[6-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 54338409
1-(4-Cyclohexylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 57513905
1-(4-Piperidin-1-ylpiperidin-1-yl)-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 58826187
1-(4-Butan-2-ylpiperazin-1-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58826207
2-[4-(4-Methylpiperidin-1-yl)piperidin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 58826210
2-[4-[Cyclopropylmethyl(propyl)amino]piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58826218

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one?
The IUPAC name of 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one (CID 157437984) is 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one?
The canonical SMILES for 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one is CC(C)(C)N1CCC(N2CCN(C(C)(C)C)CC2=O)CC1.CC(C)(C)N1CCC(N2CCN(C(C)(C)C)CC2=O)CC1.
What is the InChIKey of 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one?
The InChIKey is BRIHDQMFRBIZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H33N3O/c2*1-16(2,3)18-9-7-14(8-10-18)20-12-11-19(13-15(20)21)17(4,5)6/h2*14H,7-13H2,1-6H3.
What are the key properties of 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one?
4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one has a molecular weight of 590.94 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(1-tert-butylpiperidin-4-yl)piperazin-2-one is sourced from PubChem (CID 157437984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).