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

C12H18N4O3 — CID 66289817

IUPAC2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
SMILESCC1(C)CCN(C(=O)c2cn(CC(=O)O)nn2)CC1
InChIInChI=1S/C12H18N4O3/c1-12(2)3-5-15(6-4-12)11(19)9-7-16(14-13-9)8-10(17)18/h7H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyHTMQOIJNFJBLRH-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.62
Rot. Bonds3

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

2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid (PubChem CID 66289817) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
PubChem CID66289817
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
SMILESCC1(C)CCN(C(=O)c2cn(CC(=O)O)nn2)CC1
InChIInChI=1S/C12H18N4O3/c1-12(2)3-5-15(6-4-12)11(19)9-7-16(14-13-9)8-10(17)18/h7H,3-6,8H2,1-2H3,(H,17,18)
InChIKeyHTMQOIJNFJBLRH-UHFFFAOYSA-N
XLogP0.62
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-acetylpiperazine-1-carbonyl)triazol-1-yl]acetic acid
CID 66290605
2-[4-(azepane-1-carbonyl)triazol-1-yl]acetic acid
CID 66288731
2-[4-(4-hydroxypiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289573
2-[4-(4-propylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289815
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]triazol-1-yl]acetic acid
CID 66289197
2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66288121
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-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
CID 66289604
1-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66290172
2-[4-[methyl-(2-methylcyclohexyl)carbamoyl]triazol-1-yl]acetic acid
CID 66289181

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid (CID 66289817) is 2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid is CC1(C)CCN(C(=O)c2cn(CC(=O)O)nn2)CC1.
What is the InChIKey of 2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The InChIKey is HTMQOIJNFJBLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-12(2)3-5-15(6-4-12)11(19)9-7-16(14-13-9)8-10(17)18/h7H,3-6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 66289817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).