2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid

C15H23N3O3 — CID 106814350

IUPAC2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
SMILESCCOc1cccc(N2CCCC(CNCC(=O)O)C2)n1
InChIInChI=1S/C15H23N3O3/c1-2-21-14-7-3-6-13(17-14)18-8-4-5-12(11-18)9-16-10-15(19)20/h3,6-7,12,16H,2,4-5,8-11H2,1H3,(H,19,20)
InChIKeyAWEWDMOJPPZBID-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.37
Rot. Bonds7

About 2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106814350) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106814350
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
SMILESCCOc1cccc(N2CCCC(CNCC(=O)O)C2)n1
InChIInChI=1S/C15H23N3O3/c1-2-21-14-7-3-6-13(17-14)18-8-4-5-12(11-18)9-16-10-15(19)20/h3,6-7,12,16H,2,4-5,8-11H2,1H3,(H,19,20)
InChIKeyAWEWDMOJPPZBID-UHFFFAOYSA-N
XLogP1.37
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid
CID 106814327
N-[[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]methyl]benzamide
CID 97234608
N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide
CID 99614878
3-[[4-(6-ethoxy-2-pyridinyl)piperazine-1-carbonyl]amino]propanoic acid
CID 122018993
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814312
[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]methanol
CID 55212590
N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine
CID 115975647
2-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814374
2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814248
2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814368

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid (CID 106814350) is 2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid is CCOc1cccc(N2CCCC(CNCC(=O)O)C2)n1.
What is the InChIKey of 2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is AWEWDMOJPPZBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-21-14-7-3-6-13(17-14)18-8-4-5-12(11-18)9-16-10-15(19)20/h3,6-7,12,16H,2,4-5,8-11H2,1H3,(H,19,20).
What are the key properties of 2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106814350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).