3-cyclopropyl-3-phenylpiperazin-2-one

C13H16N2O — CID 62351226

IUPAC3-cyclopropyl-3-phenylpiperazin-2-one
SMILESO=C1NCCNC1(c1ccccc1)C1CC1
InChIInChI=1S/C13H16N2O/c16-12-13(11-6-7-11,15-9-8-14-12)10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,14,16)
InChIKeyBREKMDZOWJPJCI-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.01
Rot. Bonds2

About 3-cyclopropyl-3-phenylpiperazin-2-one

3-cyclopropyl-3-phenylpiperazin-2-one (PubChem CID 62351226) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-cyclopropyl-3-phenylpiperazin-2-one.

Molecular Properties

Compound Name3-cyclopropyl-3-phenylpiperazin-2-one
PubChem CID62351226
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name3-cyclopropyl-3-phenylpiperazin-2-one
SMILESO=C1NCCNC1(c1ccccc1)C1CC1
InChIInChI=1S/C13H16N2O/c16-12-13(11-6-7-11,15-9-8-14-12)10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,14,16)
InChIKeyBREKMDZOWJPJCI-UHFFFAOYSA-N
XLogP1.01
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-phenylpiperazin-2-one?
The IUPAC name of 3-cyclopropyl-3-phenylpiperazin-2-one (CID 62351226) is 3-cyclopropyl-3-phenylpiperazin-2-one.
What is the SMILES notation for 3-cyclopropyl-3-phenylpiperazin-2-one?
The canonical SMILES for 3-cyclopropyl-3-phenylpiperazin-2-one is O=C1NCCNC1(c1ccccc1)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-phenylpiperazin-2-one?
The InChIKey is BREKMDZOWJPJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-12-13(11-6-7-11,15-9-8-14-12)10-4-2-1-3-5-10/h1-5,11,15H,6-9H2,(H,14,16).
What are the key properties of 3-cyclopropyl-3-phenylpiperazin-2-one?
3-cyclopropyl-3-phenylpiperazin-2-one has a molecular weight of 216.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-phenylpiperazin-2-one is sourced from PubChem (CID 62351226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).