4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one

C15H24N2O2 — CID 127786720

IUPAC4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(=O)C2C3CCCCC32)CC1=O
InChIInChI=1S/C15H24N2O2/c1-10(2)17-8-7-16(9-13(17)18)15(19)14-11-5-3-4-6-12(11)14/h10-12,14H,3-9H2,1-2H3
InChIKeyZEZFGVKNLNTDFS-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.50
Rot. Bonds2

About 4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one

4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one (PubChem CID 127786720) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one
PubChem CID127786720
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one
SMILESCC(C)N1CCN(C(=O)C2C3CCCCC32)CC1=O
InChIInChI=1S/C15H24N2O2/c1-10(2)17-8-7-16(9-13(17)18)15(19)14-11-5-3-4-6-12(11)14/h10-12,14H,3-9H2,1-2H3
InChIKeyZEZFGVKNLNTDFS-UHFFFAOYSA-N
XLogP1.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one?
The IUPAC name of 4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one (CID 127786720) is 4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one?
The canonical SMILES for 4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one is CC(C)N1CCN(C(=O)C2C3CCCCC32)CC1=O.
What is the InChIKey of 4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one?
The InChIKey is ZEZFGVKNLNTDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-10(2)17-8-7-16(9-13(17)18)15(19)14-11-5-3-4-6-12(11)14/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one?
4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bicyclo[4.1.0]heptane-7-carbonyl)-1-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 127786720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).