1-(4-decanoylpiperazin-1-yl)decan-1-one

C24H46N2O2 — CID 4623369

IUPAC1-(4-decanoylpiperazin-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCN(C(=O)CCCCCCCCC)CC1
InChIInChI=1S/C24H46N2O2/c1-3-5-7-9-11-13-15-17-23(27)25-19-21-26(22-20-25)24(28)18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyDYOHMUNGIMOEIL-UHFFFAOYSA-N
MW394.64 g/mol
LogP5.94
Rot. Bonds16

About 1-(4-decanoylpiperazin-1-yl)decan-1-one

1-(4-decanoylpiperazin-1-yl)decan-1-one (PubChem CID 4623369) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 1-(4-decanoylpiperazin-1-yl)decan-1-one.

Molecular Properties

Compound Name1-(4-decanoylpiperazin-1-yl)decan-1-one
PubChem CID4623369
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Name1-(4-decanoylpiperazin-1-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCN(C(=O)CCCCCCCCC)CC1
InChIInChI=1S/C24H46N2O2/c1-3-5-7-9-11-13-15-17-23(27)25-19-21-26(22-20-25)24(28)18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKeyDYOHMUNGIMOEIL-UHFFFAOYSA-N
XLogP5.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-decanoylpiperazin-1-yl)decan-1-one?
The IUPAC name of 1-(4-decanoylpiperazin-1-yl)decan-1-one (CID 4623369) is 1-(4-decanoylpiperazin-1-yl)decan-1-one.
What is the SMILES notation for 1-(4-decanoylpiperazin-1-yl)decan-1-one?
The canonical SMILES for 1-(4-decanoylpiperazin-1-yl)decan-1-one is CCCCCCCCCC(=O)N1CCN(C(=O)CCCCCCCCC)CC1.
What is the InChIKey of 1-(4-decanoylpiperazin-1-yl)decan-1-one?
The InChIKey is DYOHMUNGIMOEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-3-5-7-9-11-13-15-17-23(27)25-19-21-26(22-20-25)24(28)18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3.
What are the key properties of 1-(4-decanoylpiperazin-1-yl)decan-1-one?
1-(4-decanoylpiperazin-1-yl)decan-1-one has a molecular weight of 394.64 g/mol, XLogP of 5.94, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-decanoylpiperazin-1-yl)decan-1-one is sourced from PubChem (CID 4623369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).