(3S)-3-[(2S)-2-methylbutyl]piperazin-2-one

C9H18N2O — CID 55253255

IUPAC(3S)-3-[(2S)-2-methylbutyl]piperazin-2-one
SMILESCC[C@H](C)C[C@@H]1NCCNC1=O
InChIInChI=1S/C9H18N2O/c1-3-7(2)6-8-9(12)11-5-4-10-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyJWUKORFPFDWFQD-YUMQZZPRSA-N
MW170.26 g/mol
LogP0.51
Rot. Bonds3

About (3S)-3-[(2S)-2-methylbutyl]piperazin-2-one

(3S)-3-[(2S)-2-methylbutyl]piperazin-2-one (PubChem CID 55253255) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is (3S)-3-[(2S)-2-methylbutyl]piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-[(2S)-2-methylbutyl]piperazin-2-one
PubChem CID55253255
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name(3S)-3-[(2S)-2-methylbutyl]piperazin-2-one
SMILESCC[C@H](C)C[C@@H]1NCCNC1=O
InChIInChI=1S/C9H18N2O/c1-3-7(2)6-8-9(12)11-5-4-10-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1
InChIKeyJWUKORFPFDWFQD-YUMQZZPRSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2S)-2-methylbutyl]piperazin-2-one?
The IUPAC name of (3S)-3-[(2S)-2-methylbutyl]piperazin-2-one (CID 55253255) is (3S)-3-[(2S)-2-methylbutyl]piperazin-2-one.
What is the SMILES notation for (3S)-3-[(2S)-2-methylbutyl]piperazin-2-one?
The canonical SMILES for (3S)-3-[(2S)-2-methylbutyl]piperazin-2-one is CC[C@H](C)C[C@@H]1NCCNC1=O.
What is the InChIKey of (3S)-3-[(2S)-2-methylbutyl]piperazin-2-one?
The InChIKey is JWUKORFPFDWFQD-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-7(2)6-8-9(12)11-5-4-10-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/t7-,8-/m0/s1.
What are the key properties of (3S)-3-[(2S)-2-methylbutyl]piperazin-2-one?
(3S)-3-[(2S)-2-methylbutyl]piperazin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2S)-2-methylbutyl]piperazin-2-one is sourced from PubChem (CID 55253255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).