3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one

C26H50N4O4 — CID 59109305

IUPAC3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one
SMILESCC1(C)CN(CCCOCCCCOCCCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1
InChIInChI=1S/C26H50N4O4/c1-23(2)19-29(21(31)25(5,6)27-23)13-11-17-33-15-9-10-16-34-18-12-14-30-20-24(3,4)28-26(7,8)22(30)32/h27-28H,9-20H2,1-8H3
InChIKeyKLHVDEVQVUTAEE-UHFFFAOYSA-N
MW482.71 g/mol
LogP2.56
Rot. Bonds13

About 3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one

3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one (PubChem CID 59109305) has the molecular formula C26H50N4O4 and a molecular weight of 482.71 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one
PubChem CID59109305
Molecular FormulaC26H50N4O4
Molecular Weight482.71 g/mol
Exact Mass482.38
IUPAC Name3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one
SMILESCC1(C)CN(CCCOCCCCOCCCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1
InChIInChI=1S/C26H50N4O4/c1-23(2)19-29(21(31)25(5,6)27-23)13-11-17-33-15-9-10-16-34-18-12-14-30-20-24(3,4)28-26(7,8)22(30)32/h27-28H,9-20H2,1-8H3
InChIKeyKLHVDEVQVUTAEE-UHFFFAOYSA-N
XLogP2.56
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.71
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-(2,2,6,6-tetramethylpiperidine-4-carbonyl)oxyoctyl 2,2,6,6-tetramethylpiperidine-4-carboxylate;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 67745067
3,3,5,5-tetramethyl-1-[2-(propylamino)ethyl]piperazin-2-one
CID 67926945
1-(3-ethoxypropyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64959233
1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one
CID 63602475
1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64967331
1-cyclopentyl-3,3,5,5-tetramethylpiperazin-2-one
CID 117023809
4-(3-methoxypropyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023648
1-(3-methoxypropyl)-3,3-dimethyl-1,4-diazocan-2-one
CID 117016400
3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one
CID 106456403
1-(3-ethoxypropyl)-3-ethyl-3-methylpiperazine-2,5-dione
CID 64958561
5-[(tert-butylamino)methyl]-3,3,5-trimethyl-1-propylpiperazin-2-one
CID 134907887
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one
CID 104566176

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one?
The IUPAC name of 3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one (CID 59109305) is 3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one?
The canonical SMILES for 3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one is CC1(C)CN(CCCOCCCCOCCCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1.
What is the InChIKey of 3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one?
The InChIKey is KLHVDEVQVUTAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N4O4/c1-23(2)19-29(21(31)25(5,6)27-23)13-11-17-33-15-9-10-16-34-18-12-14-30-20-24(3,4)28-26(7,8)22(30)32/h27-28H,9-20H2,1-8H3.
What are the key properties of 3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one?
3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one has a molecular weight of 482.71 g/mol, XLogP of 2.56, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-[3-[4-[3-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)propoxy]butoxy]propyl]piperazin-2-one is sourced from PubChem (CID 59109305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).