3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one

C28H56N6O2 — CID 21136886

IUPAC3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one
SMILESCC(CN1CC(C)(C)NC(C)(C)C1=O)NCCCCCCNC(C)CN1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C28H56N6O2/c1-21(17-33-19-25(3,4)31-27(7,8)23(33)35)29-15-13-11-12-14-16-30-22(2)18-34-20-26(5,6)32-28(9,10)24(34)36/h21-22,29-32H,11-20H2,1-10H3
InChIKeyUNZBZXXGWKDMLF-UHFFFAOYSA-N
MW508.80 g/mol
LogP2.48
Rot. Bonds13

About 3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one

3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one (PubChem CID 21136886) has the molecular formula C28H56N6O2 and a molecular weight of 508.80 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one
PubChem CID21136886
Molecular FormulaC28H56N6O2
Molecular Weight508.80 g/mol
Exact Mass508.45
IUPAC Name3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one
SMILESCC(CN1CC(C)(C)NC(C)(C)C1=O)NCCCCCCNC(C)CN1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C28H56N6O2/c1-21(17-33-19-25(3,4)31-27(7,8)23(33)35)29-15-13-11-12-14-16-30-22(2)18-34-20-26(5,6)32-28(9,10)24(34)36/h21-22,29-32H,11-20H2,1-10H3
InChIKeyUNZBZXXGWKDMLF-UHFFFAOYSA-N
XLogP2.48
TPSA88.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.80
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one with MolForge

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Related Compounds

Acetamide, N-(2,2,6,6-tetramethyl-4-piperidinyl)-2-((2,2,6,6-tetramethyl-4-piperidinyl)amino)-
CID 579978
N-cyclohexyl-2-(4-cyclopentylpiperazin-1-yl)-2-methylpropanamide
CID 49853987
2-Piperazinone, 1-[2-(cyclohexylamino)ethyl]-3,3,5,5-tetramethyl-
CID 15165099
(6S)-6-(4-aminobutyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 23640882
2-(4-cyclohexylpiperazin-1-yl)-2-methyl-N-propan-2-ylpropanamide
CID 49853885
N,N'-Ethylenebis-1-piperidineacetamide
CID 2920518
(6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 16745935
3-[2-(4-Cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
CID 24791447
(6S)-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]-6-(2-methylpropyl)piperazine-2,3-dione
CID 51359787
4-[1-(3-Oxopiperazin-1-yl)butan-2-yl]piperazine-2,6-dione
CID 166631267
N-cyclohexyl-2-(4-propanoylpiperazin-1-yl)acetamide
CID 49853778
Me-Cys(1)-piperidide.Me-Cys(1)-piperidide
CID 76684255

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one?
The IUPAC name of 3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one (CID 21136886) is 3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one?
The canonical SMILES for 3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one is CC(CN1CC(C)(C)NC(C)(C)C1=O)NCCCCCCNC(C)CN1CC(C)(C)NC(C)(C)C1=O.
What is the InChIKey of 3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one?
The InChIKey is UNZBZXXGWKDMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56N6O2/c1-21(17-33-19-25(3,4)31-27(7,8)23(33)35)29-15-13-11-12-14-16-30-22(2)18-34-20-26(5,6)32-28(9,10)24(34)36/h21-22,29-32H,11-20H2,1-10H3.
What are the key properties of 3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one?
3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one has a molecular weight of 508.80 g/mol, XLogP of 2.48, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-[2-[6-[1-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propan-2-ylamino]hexylamino]propyl]piperazin-2-one is sourced from PubChem (CID 21136886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).