2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one

C20H38N2O2 — CID 3030081

IUPAC2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(CCC)C(=O)N1CCN(C(=O)C(CCC)CCC)CC1
InChIInChI=1S/C20H38N2O2/c1-5-9-17(10-6-2)19(23)21-13-15-22(16-14-21)20(24)18(11-7-3)12-8-4/h17-18H,5-16H2,1-4H3
InChIKeyBIQGYOKEABZAMD-UHFFFAOYSA-N
MW338.54 g/mol
LogP4.09
Rot. Bonds10

About 2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one

2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one (PubChem CID 3030081) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is 2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one
PubChem CID3030081
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(CCC)C(=O)N1CCN(C(=O)C(CCC)CCC)CC1
InChIInChI=1S/C20H38N2O2/c1-5-9-17(10-6-2)19(23)21-13-15-22(16-14-21)20(24)18(11-7-3)12-8-4/h17-18H,5-16H2,1-4H3
InChIKeyBIQGYOKEABZAMD-UHFFFAOYSA-N
XLogP4.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one (CID 3030081) is 2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one is CCCC(CCC)C(=O)N1CCN(C(=O)C(CCC)CCC)CC1.
What is the InChIKey of 2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one?
The InChIKey is BIQGYOKEABZAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-5-9-17(10-6-2)19(23)21-13-15-22(16-14-21)20(24)18(11-7-3)12-8-4/h17-18H,5-16H2,1-4H3.
What are the key properties of 2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one?
2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one has a molecular weight of 338.54 g/mol, XLogP of 4.09, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-[4-(2-propylpentanoyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 3030081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).