3-cyclopropylpiperazin-2-one

C7H12N2O — CID 62351767

IUPAC3-cyclopropylpiperazin-2-one
SMILESO=C1NCCNC1C1CC1
InChIInChI=1S/C7H12N2O/c10-7-6(5-1-2-5)8-3-4-9-7/h5-6,8H,1-4H2,(H,9,10)
InChIKeyLWCWDGZBZPNZNP-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.52
Rot. Bonds1

About 3-cyclopropylpiperazin-2-one

3-cyclopropylpiperazin-2-one (PubChem CID 62351767) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-cyclopropylpiperazin-2-one.

Molecular Properties

Compound Name3-cyclopropylpiperazin-2-one
PubChem CID62351767
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name3-cyclopropylpiperazin-2-one
SMILESO=C1NCCNC1C1CC1
InChIInChI=1S/C7H12N2O/c10-7-6(5-1-2-5)8-3-4-9-7/h5-6,8H,1-4H2,(H,9,10)
InChIKeyLWCWDGZBZPNZNP-UHFFFAOYSA-N
XLogP-0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropylpiperazin-2-one?
The IUPAC name of 3-cyclopropylpiperazin-2-one (CID 62351767) is 3-cyclopropylpiperazin-2-one.
What is the SMILES notation for 3-cyclopropylpiperazin-2-one?
The canonical SMILES for 3-cyclopropylpiperazin-2-one is O=C1NCCNC1C1CC1.
What is the InChIKey of 3-cyclopropylpiperazin-2-one?
The InChIKey is LWCWDGZBZPNZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c10-7-6(5-1-2-5)8-3-4-9-7/h5-6,8H,1-4H2,(H,9,10).
What are the key properties of 3-cyclopropylpiperazin-2-one?
3-cyclopropylpiperazin-2-one has a molecular weight of 140.19 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropylpiperazin-2-one is sourced from PubChem (CID 62351767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).