(3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one

C11H20N2O — CID 124552453

IUPAC(3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one
SMILESC[C@H]1CN[C@H](C2CCCCC2)C(=O)N1
InChIInChI=1S/C11H20N2O/c1-8-7-12-10(11(14)13-8)9-5-3-2-4-6-9/h8-10,12H,2-7H2,1H3,(H,13,14)/t8-,10+/m0/s1
InChIKeySENAERNMRQDYDZ-WCBMZHEXSA-N
MW196.29 g/mol
LogP1.04
Rot. Bonds1

About (3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one

(3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one (PubChem CID 124552453) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one.

Molecular Properties

Compound Name(3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one
PubChem CID124552453
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one
SMILESC[C@H]1CN[C@H](C2CCCCC2)C(=O)N1
InChIInChI=1S/C11H20N2O/c1-8-7-12-10(11(14)13-8)9-5-3-2-4-6-9/h8-10,12H,2-7H2,1H3,(H,13,14)/t8-,10+/m0/s1
InChIKeySENAERNMRQDYDZ-WCBMZHEXSA-N
XLogP1.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one?
The IUPAC name of (3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one (CID 124552453) is (3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one.
What is the SMILES notation for (3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one?
The canonical SMILES for (3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one is C[C@H]1CN[C@H](C2CCCCC2)C(=O)N1.
What is the InChIKey of (3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one?
The InChIKey is SENAERNMRQDYDZ-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-7-12-10(11(14)13-8)9-5-3-2-4-6-9/h8-10,12H,2-7H2,1H3,(H,13,14)/t8-,10+/m0/s1.
What are the key properties of (3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one?
(3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3-cyclohexyl-6-methylpiperazin-2-one is sourced from PubChem (CID 124552453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).