2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid

C14H25N3O3 — CID 43521829

IUPAC2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
SMILESCC1CCN(C(=O)CN2CCN(CC(=O)O)CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-12-2-4-17(5-3-12)13(18)10-15-6-8-16(9-7-15)11-14(19)20/h12H,2-11H2,1H3,(H,19,20)
InChIKeyBUIJERIELIAGLX-UHFFFAOYSA-N
MW283.37 g/mol
LogP-0.05
Rot. Bonds4

About 2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid

2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid (PubChem CID 43521829) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
PubChem CID43521829
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
SMILESCC1CCN(C(=O)CN2CCN(CC(=O)O)CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-12-2-4-17(5-3-12)13(18)10-15-6-8-16(9-7-15)11-14(19)20/h12H,2-11H2,1H3,(H,19,20)
InChIKeyBUIJERIELIAGLX-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423
1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423
2-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 127883264
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 63903774
ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 142372781
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 134032072
N-methyl-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidine-4-carboxamide
CID 42542173
N-cyclopropyl-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 78822225
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 177010954

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid (CID 43521829) is 2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid is CC1CCN(C(=O)CN2CCN(CC(=O)O)CC2)CC1.
What is the InChIKey of 2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid?
The InChIKey is BUIJERIELIAGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-12-2-4-17(5-3-12)13(18)10-15-6-8-16(9-7-15)11-14(19)20/h12H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid?
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid has a molecular weight of 283.37 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).