4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one

C15H28N2O2 — CID 138722083

IUPAC4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one
SMILESCCC(=O)CCN1CCN(CCC(=O)C(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-4-14(18)5-7-16-9-11-17(12-10-16)8-6-15(19)13(2)3/h13H,4-12H2,1-3H3
InChIKeyUAFIHMSUXBICRT-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.59
Rot. Bonds8

About 4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one

4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one (PubChem CID 138722083) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one.

Molecular Properties

Compound Name4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one
PubChem CID138722083
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one
SMILESCCC(=O)CCN1CCN(CCC(=O)C(C)C)CC1
InChIInChI=1S/C15H28N2O2/c1-4-14(18)5-7-16-9-11-17(12-10-16)8-6-15(19)13(2)3/h13H,4-12H2,1-3H3
InChIKeyUAFIHMSUXBICRT-UHFFFAOYSA-N
XLogP1.59
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one?
The IUPAC name of 4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one (CID 138722083) is 4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one.
What is the SMILES notation for 4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one?
The canonical SMILES for 4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one is CCC(=O)CCN1CCN(CCC(=O)C(C)C)CC1.
What is the InChIKey of 4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one?
The InChIKey is UAFIHMSUXBICRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-4-14(18)5-7-16-9-11-17(12-10-16)8-6-15(19)13(2)3/h13H,4-12H2,1-3H3.
What are the key properties of 4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one?
4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one has a molecular weight of 268.40 g/mol, XLogP of 1.59, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[4-(3-oxopentyl)piperazin-1-yl]pentan-3-one is sourced from PubChem (CID 138722083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).