3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

C29H56N6O3 — CID 70018577

IUPAC3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCC(C)N1CC(C)(C)NC(C)(C)C1=O.CC1(C)CN(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1
InChIInChI=1S/C18H34N4O2.C11H22N2O/c1-15(2)11-21(13(23)17(5,6)19-15)9-10-22-12-16(3,4)20-18(7,8)14(22)24;1-8(2)13-7-10(3,4)12-11(5,6)9(13)14/h19-20H,9-12H2,1-8H3;8,12H,7H2,1-6H3
InChIKeyIEUNSDAKTGEVSQ-UHFFFAOYSA-N
MW536.81 g/mol
LogP2.35
Rot. Bonds4

About 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (PubChem CID 70018577) has the molecular formula C29H56N6O3 and a molecular weight of 536.81 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
PubChem CID70018577
Molecular FormulaC29H56N6O3
Molecular Weight536.81 g/mol
Exact Mass536.44
IUPAC Name3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCC(C)N1CC(C)(C)NC(C)(C)C1=O.CC1(C)CN(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1
InChIInChI=1S/C18H34N4O2.C11H22N2O/c1-15(2)11-21(13(23)17(5,6)19-15)9-10-22-12-16(3,4)20-18(7,8)14(22)24;1-8(2)13-7-10(3,4)12-11(5,6)9(13)14/h19-20H,9-12H2,1-8H3;8,12H,7H2,1-6H3
InChIKeyIEUNSDAKTGEVSQ-UHFFFAOYSA-N
XLogP2.35
TPSA97.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.81
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (CID 70018577) is 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is CC(C)N1CC(C)(C)NC(C)(C)C1=O.CC1(C)CN(CCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1.
What is the InChIKey of 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The InChIKey is IEUNSDAKTGEVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2.C11H22N2O/c1-15(2)11-21(13(23)17(5,6)19-15)9-10-22-12-16(3,4)20-18(7,8)14(22)24;1-8(2)13-7-10(3,4)12-11(5,6)9(13)14/h19-20H,9-12H2,1-8H3;8,12H,7H2,1-6H3.
What are the key properties of 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one has a molecular weight of 536.81 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-propan-2-ylpiperazin-2-one;3,3,5,5-tetramethyl-1-[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 70018577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).