(3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one

C14H26N4O2 — CID 92573453

IUPAC(3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one
SMILESCC1(C)CNC(=O)[C@@](C)([C@@]2(C)NC(C)(C)CNC2=O)N1
InChIInChI=1S/C14H26N4O2/c1-11(2)7-15-9(19)13(5,17-11)14(6)10(20)16-8-12(3,4)18-14/h17-18H,7-8H2,1-6H3,(H,15,19)(H,16,20)/t13-,14-/m0/s1
InChIKeyVAUGYZMQVRFLMA-KBPBESRZSA-N
MW282.39 g/mol
LogP-0.50
Rot. Bonds1

About (3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one

(3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one (PubChem CID 92573453) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is (3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one
PubChem CID92573453
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name(3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one
SMILESCC1(C)CNC(=O)[C@@](C)([C@@]2(C)NC(C)(C)CNC2=O)N1
InChIInChI=1S/C14H26N4O2/c1-11(2)7-15-9(19)13(5,17-11)14(6)10(20)16-8-12(3,4)18-14/h17-18H,7-8H2,1-6H3,(H,15,19)(H,16,20)/t13-,14-/m0/s1
InChIKeyVAUGYZMQVRFLMA-KBPBESRZSA-N
XLogP-0.50
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one with MolForge

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Related Compounds

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3,3,4,4-tetrafluoropyrrolidin-2-one
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CID 175917737

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one?
The IUPAC name of (3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one (CID 92573453) is (3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one.
What is the SMILES notation for (3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one?
The canonical SMILES for (3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one is CC1(C)CNC(=O)[C@@](C)([C@@]2(C)NC(C)(C)CNC2=O)N1.
What is the InChIKey of (3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one?
The InChIKey is VAUGYZMQVRFLMA-KBPBESRZSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-11(2)7-15-9(19)13(5,17-11)14(6)10(20)16-8-12(3,4)18-14/h17-18H,7-8H2,1-6H3,(H,15,19)(H,16,20)/t13-,14-/m0/s1.
What are the key properties of (3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one?
(3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one has a molecular weight of 282.39 g/mol, XLogP of -0.50, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5,5-trimethyl-3-[(2R)-2,6,6-trimethyl-3-oxopiperazin-2-yl]piperazin-2-one is sourced from PubChem (CID 92573453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).