1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

C37H71N7O3 — CID 158567554

IUPAC1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCN1C(C)(C)CN(CCN2CC(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C.CN1C(C)(C)CN(CCNC2CCCCC2)C(=O)C1(C)C
InChIInChI=1S/C20H38N4O2.C17H33N3O/c1-17(2)13-23(15(25)19(5,6)21(17)9)11-12-24-14-18(3,4)22(10)20(7,8)16(24)26;1-16(2)13-20(15(21)17(3,4)19(16)5)12-11-18-14-9-7-6-8-10-14/h11-14H2,1-10H3;14,18H,6-13H2,1-5H3
InChIKeyHRRBAKOEFKYJGM-UHFFFAOYSA-N
MW662.02 g/mol
LogP3.89
Rot. Bonds7

About 1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one

1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (PubChem CID 158567554) has the molecular formula C37H71N7O3 and a molecular weight of 662.02 g/mol. Its IUPAC name is 1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.

Molecular Properties

Compound Name1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
PubChem CID158567554
Molecular FormulaC37H71N7O3
Molecular Weight662.02 g/mol
Exact Mass661.56
IUPAC Name1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one
SMILESCN1C(C)(C)CN(CCN2CC(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C.CN1C(C)(C)CN(CCNC2CCCCC2)C(=O)C1(C)C
InChIInChI=1S/C20H38N4O2.C17H33N3O/c1-17(2)13-23(15(25)19(5,6)21(17)9)11-12-24-14-18(3,4)22(10)20(7,8)16(24)26;1-16(2)13-20(15(21)17(3,4)19(16)5)12-11-18-14-9-7-6-8-10-14/h11-14H2,1-10H3;14,18H,6-13H2,1-5H3
InChIKeyHRRBAKOEFKYJGM-UHFFFAOYSA-N
XLogP3.89
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500662.02
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one with MolForge

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Related Compounds

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Sdccgsbi-0117179.P001
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2-(2,2-dimethylpiperidin-1-yl)-N-[2-[[2-(2,2-dimethylpiperidin-1-yl)-2-methylpropanoyl]amino]ethyl]-2-methylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The IUPAC name of 1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one (CID 158567554) is 1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one.
What is the SMILES notation for 1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The canonical SMILES for 1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is CN1C(C)(C)CN(CCN2CC(C)(C)N(C)C(C)(C)C2=O)C(=O)C1(C)C.CN1C(C)(C)CN(CCNC2CCCCC2)C(=O)C1(C)C.
What is the InChIKey of 1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
The InChIKey is HRRBAKOEFKYJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2.C17H33N3O/c1-17(2)13-23(15(25)19(5,6)21(17)9)11-12-24-14-18(3,4)22(10)20(7,8)16(24)26;1-16(2)13-20(15(21)17(3,4)19(16)5)12-11-18-14-9-7-6-8-10-14/h11-14H2,1-10H3;14,18H,6-13H2,1-5H3.
What are the key properties of 1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one?
1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one has a molecular weight of 662.02 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylamino)ethyl]-3,3,4,5,5-pentamethylpiperazin-2-one;3,3,4,5,5-pentamethyl-1-[2-(3,3,4,5,5-pentamethyl-2-oxopiperazin-1-yl)ethyl]piperazin-2-one is sourced from PubChem (CID 158567554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).