6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one

C16H30N2O — CID 142066640

IUPAC6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one
SMILESC=C1NC(CC(C)C)C(=O)N(CCC)C1(CC)CC
InChIInChI=1S/C16H30N2O/c1-7-10-18-15(19)14(11-12(4)5)17-13(6)16(18,8-2)9-3/h12,14,17H,6-11H2,1-5H3
InChIKeyFWUJIVJYCOSVGI-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.32
Rot. Bonds6

About 6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one

6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one (PubChem CID 142066640) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one.

Molecular Properties

Compound Name6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one
PubChem CID142066640
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one
SMILESC=C1NC(CC(C)C)C(=O)N(CCC)C1(CC)CC
InChIInChI=1S/C16H30N2O/c1-7-10-18-15(19)14(11-12(4)5)17-13(6)16(18,8-2)9-3/h12,14,17H,6-11H2,1-5H3
InChIKeyFWUJIVJYCOSVGI-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one?
The IUPAC name of 6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one (CID 142066640) is 6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one.
What is the SMILES notation for 6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one?
The canonical SMILES for 6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one is C=C1NC(CC(C)C)C(=O)N(CCC)C1(CC)CC.
What is the InChIKey of 6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one?
The InChIKey is FWUJIVJYCOSVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-7-10-18-15(19)14(11-12(4)5)17-13(6)16(18,8-2)9-3/h12,14,17H,6-11H2,1-5H3.
What are the key properties of 6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one?
6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one has a molecular weight of 266.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-diethyl-5-methylidene-3-(2-methylpropyl)-1-propylpiperazin-2-one is sourced from PubChem (CID 142066640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).