4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one

C13H26N2O — CID 58450079

IUPAC4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyQPIHRQJETKNCIO-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.98
Rot. Bonds4

About 4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one

4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one (PubChem CID 58450079) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
PubChem CID58450079
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyQPIHRQJETKNCIO-UHFFFAOYSA-N
XLogP1.98
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one (CID 58450079) is 4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one is CC(C)CCC(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of 4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
The InChIKey is QPIHRQJETKNCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)5-6-13(16)15-9-7-14(8-10-15)12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one?
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one has a molecular weight of 226.36 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 58450079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).