2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid

C15H26N2O4 — CID 63903774

IUPAC2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
SMILESCC1CCN(C(=O)CN2CCC(OCC(=O)O)CC2)CC1
InChIInChI=1S/C15H26N2O4/c1-12-2-8-17(9-3-12)14(18)10-16-6-4-13(5-7-16)21-11-15(19)20/h12-13H,2-11H2,1H3,(H,19,20)
InChIKeyOXQRXWPDYKTYBC-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.81
Rot. Bonds5

About 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid

2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid (PubChem CID 63903774) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
PubChem CID63903774
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
SMILESCC1CCN(C(=O)CN2CCC(OCC(=O)O)CC2)CC1
InChIInChI=1S/C15H26N2O4/c1-12-2-8-17(9-3-12)14(18)10-16-6-4-13(5-7-16)21-11-15(19)20/h12-13H,2-11H2,1H3,(H,19,20)
InChIKeyOXQRXWPDYKTYBC-UHFFFAOYSA-N
XLogP0.81
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(methyliodanuidylmethoxy)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 177010954
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
2-[1-(3-methoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869728
ethane;1-[4-(1-hydroxyethenyl)piperidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone
CID 142372781
2-(1-methylazetidin-3-yl)oxy-1-(4-methylpiperidin-1-yl)ethanone
CID 166537028
2-[1-[2-(ethylamino)-2-oxoethyl]piperidin-4-yl]oxyacetic acid
CID 55252054
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423
2-[(3S)-1-acetylpyrrolidin-3-yl]oxyacetic acid
CID 66563754
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
2-[1-(3-ethoxypropanoyl)piperidin-4-yl]oxyacetic acid
CID 63869733

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid (CID 63903774) is 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid is CC1CCN(C(=O)CN2CCC(OCC(=O)O)CC2)CC1.
What is the InChIKey of 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid?
The InChIKey is OXQRXWPDYKTYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-12-2-8-17(9-3-12)14(18)10-16-6-4-13(5-7-16)21-11-15(19)20/h12-13H,2-11H2,1H3,(H,19,20).
What are the key properties of 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid?
2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid has a molecular weight of 298.38 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]oxyacetic acid is sourced from PubChem (CID 63903774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).