2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid

C11H16N4O3 — CID 54899337

IUPAC2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Cn1cncn1
InChIInChI=1S/C11H16N4O3/c16-10(6-14-8-12-7-13-14)15-4-2-1-3-9(15)5-11(17)18/h7-9H,1-6H2,(H,17,18)
InChIKeyLJENNPFBTPGPQP-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.13
Rot. Bonds4

About 2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid

2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid (PubChem CID 54899337) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid
PubChem CID54899337
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1C(=O)Cn1cncn1
InChIInChI=1S/C11H16N4O3/c16-10(6-14-8-12-7-13-14)15-4-2-1-3-9(15)5-11(17)18/h7-9H,1-6H2,(H,17,18)
InChIKeyLJENNPFBTPGPQP-UHFFFAOYSA-N
XLogP0.13
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 66260539
N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634245
1-[(2R)-2-methylpyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 143979250
1-[2-(hydroxymethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 43421122
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 98763927
(2R)-1-[2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetyl]piperidine-2-carboxamide
CID 95750565
1-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 94106624
2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
CID 54899853
(3R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 28789819
2-[(2S)-1-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperidin-2-yl]acetic acid
CID 125175276
2-(1-butanoylpiperidin-2-yl)acetic acid
CID 61010375
1-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 96579347

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid (CID 54899337) is 2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1C(=O)Cn1cncn1.
What is the InChIKey of 2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid?
The InChIKey is LJENNPFBTPGPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10(6-14-8-12-7-13-14)15-4-2-1-3-9(15)5-11(17)18/h7-9H,1-6H2,(H,17,18).
What are the key properties of 2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid?
2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 54899337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).