2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid

C18H20N4O5 — CID 130228409

IUPAC2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid
SMILESCC(=O)OC1CCN(C(=O)c2ccc(-n3cc(CC(=O)O)nn3)cc2)CC1
InChIInChI=1S/C18H20N4O5/c1-12(23)27-16-6-8-21(9-7-16)18(26)13-2-4-15(5-3-13)22-11-14(19-20-22)10-17(24)25/h2-5,11,16H,6-10H2,1H3,(H,24,25)
InChIKeyIWFRHEYGGQCKAA-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.06
Rot. Bonds5

About 2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid

2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid (PubChem CID 130228409) has the molecular formula C18H20N4O5 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid
PubChem CID130228409
Molecular FormulaC18H20N4O5
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid
SMILESCC(=O)OC1CCN(C(=O)c2ccc(-n3cc(CC(=O)O)nn3)cc2)CC1
InChIInChI=1S/C18H20N4O5/c1-12(23)27-16-6-8-21(9-7-16)18(26)13-2-4-15(5-3-13)22-11-14(19-20-22)10-17(24)25/h2-5,11,16H,6-10H2,1H3,(H,24,25)
InChIKeyIWFRHEYGGQCKAA-UHFFFAOYSA-N
XLogP1.06
TPSA114.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[4-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]piperidine-1-carbonyl]phenyl]triazol-4-yl]acetic acid
CID 148732466
2-[1-(4-fluorophenyl)triazol-4-yl]acetic acid
CID 83642133
dimethyl 2-[[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]methyl]-3-propan-2-ylbut-2-enedioate
CID 66648444
3-[1-(4-acetylphenyl)triazol-4-yl]propanoic acid
CID 82369393
1-[1-(4-chlorophenyl)triazol-4-yl]propan-2-one
CID 117167684
2-[1-(4-iodobenzoyl)piperidin-4-yl]oxyacetic acid
CID 63869906
ethane;[2-[4-(4-ethyltriazol-1-yl)phenyl]-2-oxoethyl] carbamate
CID 142311805
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(4-methylpyrazol-1-yl)phenyl]methanone
CID 119662578
2-[1-(3-bromo-4-fluorophenyl)triazol-4-yl]acetic acid
CID 107461214
2-[1-(2-bromo-5-fluorophenyl)triazol-4-yl]acetic acid
CID 107626227
2-[4-[4-(methylsulfonyloxymethyl)triazol-1-yl]phenyl]acetic acid
CID 139489034
[1-[4-[6-(aminomethyl)imidazo[1,2-a]pyridin-2-yl]benzoyl]piperidin-4-yl] hydrogen carbonate
CID 22364124

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid (CID 130228409) is 2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid is CC(=O)OC1CCN(C(=O)c2ccc(-n3cc(CC(=O)O)nn3)cc2)CC1.
What is the InChIKey of 2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid?
The InChIKey is IWFRHEYGGQCKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O5/c1-12(23)27-16-6-8-21(9-7-16)18(26)13-2-4-15(5-3-13)22-11-14(19-20-22)10-17(24)25/h2-5,11,16H,6-10H2,1H3,(H,24,25).
What are the key properties of 2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid?
2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid has a molecular weight of 372.38 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-acetyloxypiperidine-1-carbonyl)phenyl]triazol-4-yl]acetic acid is sourced from PubChem (CID 130228409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).