ethane;5-propan-2-ylpiperazin-2-one

C9H20N2O — CID 144543180

IUPACethane;5-propan-2-ylpiperazin-2-one
SMILESCC.CC(C)C1CNC(=O)CN1
InChIInChI=1S/C7H14N2O.C2H6/c1-5(2)6-3-9-7(10)4-8-6;1-2/h5-6,8H,3-4H2,1-2H3,(H,9,10);1-2H3
InChIKeyIPZBGRJUIRGQSF-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.76
Rot. Bonds1

About ethane;5-propan-2-ylpiperazin-2-one

ethane;5-propan-2-ylpiperazin-2-one (PubChem CID 144543180) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is ethane;5-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Nameethane;5-propan-2-ylpiperazin-2-one
PubChem CID144543180
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Nameethane;5-propan-2-ylpiperazin-2-one
SMILESCC.CC(C)C1CNC(=O)CN1
InChIInChI=1S/C7H14N2O.C2H6/c1-5(2)6-3-9-7(10)4-8-6;1-2/h5-6,8H,3-4H2,1-2H3,(H,9,10);1-2H3
InChIKeyIPZBGRJUIRGQSF-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-ylpiperazin-2-one?
The IUPAC name of ethane;5-propan-2-ylpiperazin-2-one (CID 144543180) is ethane;5-propan-2-ylpiperazin-2-one.
What is the SMILES notation for ethane;5-propan-2-ylpiperazin-2-one?
The canonical SMILES for ethane;5-propan-2-ylpiperazin-2-one is CC.CC(C)C1CNC(=O)CN1.
What is the InChIKey of ethane;5-propan-2-ylpiperazin-2-one?
The InChIKey is IPZBGRJUIRGQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.C2H6/c1-5(2)6-3-9-7(10)4-8-6;1-2/h5-6,8H,3-4H2,1-2H3,(H,9,10);1-2H3.
What are the key properties of ethane;5-propan-2-ylpiperazin-2-one?
ethane;5-propan-2-ylpiperazin-2-one has a molecular weight of 172.27 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 144543180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).