(3R)-3-(cyclohexylmethyl)piperazin-2-one

C11H20N2O — CID 124512523

IUPAC(3R)-3-(cyclohexylmethyl)piperazin-2-one
SMILESO=C1NCCN[C@@H]1CC1CCCCC1
InChIInChI=1S/C11H20N2O/c14-11-10(12-6-7-13-11)8-9-4-2-1-3-5-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m1/s1
InChIKeyMWAZDIXAEWBVMS-SNVBAGLBSA-N
MW196.29 g/mol
LogP1.04
Rot. Bonds2

About (3R)-3-(cyclohexylmethyl)piperazin-2-one

(3R)-3-(cyclohexylmethyl)piperazin-2-one (PubChem CID 124512523) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3R)-3-(cyclohexylmethyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-(cyclohexylmethyl)piperazin-2-one
PubChem CID124512523
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3R)-3-(cyclohexylmethyl)piperazin-2-one
SMILESO=C1NCCN[C@@H]1CC1CCCCC1
InChIInChI=1S/C11H20N2O/c14-11-10(12-6-7-13-11)8-9-4-2-1-3-5-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m1/s1
InChIKeyMWAZDIXAEWBVMS-SNVBAGLBSA-N
XLogP1.04
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclohexylmethyl)piperazin-2-one?
The IUPAC name of (3R)-3-(cyclohexylmethyl)piperazin-2-one (CID 124512523) is (3R)-3-(cyclohexylmethyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-(cyclohexylmethyl)piperazin-2-one?
The canonical SMILES for (3R)-3-(cyclohexylmethyl)piperazin-2-one is O=C1NCCN[C@@H]1CC1CCCCC1.
What is the InChIKey of (3R)-3-(cyclohexylmethyl)piperazin-2-one?
The InChIKey is MWAZDIXAEWBVMS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O/c14-11-10(12-6-7-13-11)8-9-4-2-1-3-5-9/h9-10,12H,1-8H2,(H,13,14)/t10-/m1/s1.
What are the key properties of (3R)-3-(cyclohexylmethyl)piperazin-2-one?
(3R)-3-(cyclohexylmethyl)piperazin-2-one has a molecular weight of 196.29 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(cyclohexylmethyl)piperazin-2-one is sourced from PubChem (CID 124512523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).