2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid

C12H18N4O3 — CID 66289604

IUPAC2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
SMILESCC1CCCN(C(=O)c2cn(CC(=O)O)nn2)C1C
InChIInChI=1S/C12H18N4O3/c1-8-4-3-5-16(9(8)2)12(19)10-6-15(14-13-10)7-11(17)18/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyXARPHVOWEFDGOT-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.62
Rot. Bonds3

About 2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid

2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid (PubChem CID 66289604) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
PubChem CID66289604
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
SMILESCC1CCCN(C(=O)c2cn(CC(=O)O)nn2)C1C
InChIInChI=1S/C12H18N4O3/c1-8-4-3-5-16(9(8)2)12(19)10-6-15(14-13-10)7-11(17)18/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyXARPHVOWEFDGOT-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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid (CID 66289604) is 2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid is CC1CCCN(C(=O)c2cn(CC(=O)O)nn2)C1C.
What is the InChIKey of 2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The InChIKey is XARPHVOWEFDGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-4-3-5-16(9(8)2)12(19)10-6-15(14-13-10)7-11(17)18/h6,8-9H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
2-[4-(2,3-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-(2,3-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 66289604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).