(3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one

C10H18N2O — CID 82407658

IUPAC(3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one
SMILESCC(C)[C@@H]1NC(C2CC2)CNC1=O
InChIInChI=1S/C10H18N2O/c1-6(2)9-10(13)11-5-8(12-9)7-3-4-7/h6-9,12H,3-5H2,1-2H3,(H,11,13)/t8?,9-/m0/s1
InChIKeyXLAAGEPDTWMJIO-GKAPJAKFSA-N
MW182.27 g/mol
LogP0.51
Rot. Bonds2

About (3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one

(3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one (PubChem CID 82407658) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one
PubChem CID82407658
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one
SMILESCC(C)[C@@H]1NC(C2CC2)CNC1=O
InChIInChI=1S/C10H18N2O/c1-6(2)9-10(13)11-5-8(12-9)7-3-4-7/h6-9,12H,3-5H2,1-2H3,(H,11,13)/t8?,9-/m0/s1
InChIKeyXLAAGEPDTWMJIO-GKAPJAKFSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.51
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 (3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one?
The IUPAC name of (3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one (CID 82407658) is (3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one.
What is the SMILES notation for (3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one?
The canonical SMILES for (3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one is CC(C)[C@@H]1NC(C2CC2)CNC1=O.
What is the InChIKey of (3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one?
The InChIKey is XLAAGEPDTWMJIO-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H18N2O/c1-6(2)9-10(13)11-5-8(12-9)7-3-4-7/h6-9,12H,3-5H2,1-2H3,(H,11,13)/t8?,9-/m0/s1.
What are the key properties of (3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one?
(3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one has a molecular weight of 182.27 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-cyclopropyl-3-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 82407658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).