4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid

C14H25N3O3 — CID 58135894

IUPAC4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid
SMILESCN1CCN(C2CCN(C(=O)CCC(=O)O)CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-15-8-10-16(11-9-15)12-4-6-17(7-5-12)13(18)2-3-14(19)20/h12H,2-11H2,1H3,(H,19,20)
InChIKeyCTXXCFVQEZJTMC-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.09
Rot. Bonds4

About 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid

4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid (PubChem CID 58135894) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid
PubChem CID58135894
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid
SMILESCN1CCN(C2CCN(C(=O)CCC(=O)O)CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-15-8-10-16(11-9-15)12-4-6-17(7-5-12)13(18)2-3-14(19)20/h12H,2-11H2,1H3,(H,19,20)
InChIKeyCTXXCFVQEZJTMC-UHFFFAOYSA-N
XLogP0.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid?
The IUPAC name of 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid (CID 58135894) is 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid.
What is the SMILES notation for 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid?
The canonical SMILES for 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid is CN1CCN(C2CCN(C(=O)CCC(=O)O)CC2)CC1.
What is the InChIKey of 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid?
The InChIKey is CTXXCFVQEZJTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-15-8-10-16(11-9-15)12-4-6-17(7-5-12)13(18)2-3-14(19)20/h12H,2-11H2,1H3,(H,19,20).
What are the key properties of 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid?
4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid has a molecular weight of 283.37 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-oxobutanoic acid is sourced from PubChem (CID 58135894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).