2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid

C12H18N4O4 — CID 66289197

IUPAC2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid
SMILESCOCC1CCN(C(=O)c2cn(CC(=O)O)nn2)CC1
InChIInChI=1S/C12H18N4O4/c1-20-8-9-2-4-15(5-3-9)12(19)10-6-16(14-13-10)7-11(17)18/h6,9H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyLKXHJIRQANAMMK-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.14
Rot. Bonds5

About 2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid

2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid (PubChem CID 66289197) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid
PubChem CID66289197
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid
SMILESCOCC1CCN(C(=O)c2cn(CC(=O)O)nn2)CC1
InChIInChI=1S/C12H18N4O4/c1-20-8-9-2-4-15(5-3-9)12(19)10-6-16(14-13-10)7-11(17)18/h6,9H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyLKXHJIRQANAMMK-UHFFFAOYSA-N
XLogP-0.14
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289815
2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289573
2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid
CID 66290605
2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289817
2-[4-(azepane-1-carbonyl)triazol-1-yl]acetic acid
CID 66288731
[1-(azetidin-3-yl)triazol-4-yl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 79316632
[1-(2-cyclohexylethyl)triazol-4-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45176698
2-[4-(3-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288752
2-[4-(3-ethoxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66290626
[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 42287586
[3-(methoxymethyl)piperidin-1-yl]-[1-(2-phenylethyl)triazol-4-yl]methanone
CID 45176076
2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288121

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid (CID 66289197) is 2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid is COCC1CCN(C(=O)c2cn(CC(=O)O)nn2)CC1.
What is the InChIKey of 2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid?
The InChIKey is LKXHJIRQANAMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-20-8-9-2-4-15(5-3-9)12(19)10-6-16(14-13-10)7-11(17)18/h6,9H,2-5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid?
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid is sourced from PubChem (CID 66289197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).