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

C13H20N4O3 — CID 66289815

IUPAC2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
SMILESCCCC1CCN(C(=O)c2cn(CC(=O)O)nn2)CC1
InChIInChI=1S/C13H20N4O3/c1-2-3-10-4-6-16(7-5-10)13(20)11-8-17(15-14-11)9-12(18)19/h8,10H,2-7,9H2,1H3,(H,18,19)
InChIKeyGGGQBYFMLNCWQK-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.01
Rot. Bonds5

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

2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid (PubChem CID 66289815) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
PubChem CID66289815
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
SMILESCCCC1CCN(C(=O)c2cn(CC(=O)O)nn2)CC1
InChIInChI=1S/C13H20N4O3/c1-2-3-10-4-6-16(7-5-10)13(20)11-8-17(15-14-11)9-12(18)19/h8,10H,2-7,9H2,1H3,(H,18,19)
InChIKeyGGGQBYFMLNCWQK-UHFFFAOYSA-N
XLogP1.01
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid
CID 66289197
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
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
2-[4-(2-ethylpyrrolidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66287918
2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288121
2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289604
[6-(methylamino)pyridazin-3-yl]-(4-propylpiperidin-1-yl)methanone
CID 62204390
[1-(2-aminoethyl)triazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495450

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid (CID 66289815) is 2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid is CCCC1CCN(C(=O)c2cn(CC(=O)O)nn2)CC1.
What is the InChIKey of 2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The InChIKey is GGGQBYFMLNCWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-2-3-10-4-6-16(7-5-10)13(20)11-8-17(15-14-11)9-12(18)19/h8,10H,2-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid has a molecular weight of 280.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 66289815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).