2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid

C12H18N4O3 — CID 66288121

IUPAC2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
SMILESCC1CCCC(C)N1C(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C12H18N4O3/c1-8-4-3-5-9(2)16(8)12(19)10-6-15(14-13-10)7-11(17)18/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyYYZOVGSBPWRCOC-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.77
Rot. Bonds3

About 2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid

2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid (PubChem CID 66288121) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
PubChem CID66288121
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid
SMILESCC1CCCC(C)N1C(=O)c1cn(CC(=O)O)nn1
InChIInChI=1S/C12H18N4O3/c1-8-4-3-5-9(2)16(8)12(19)10-6-15(14-13-10)7-11(17)18/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyYYZOVGSBPWRCOC-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Tert-butyl 4-(4-carbamoyltriazol-1-yl)piperidine-1-carboxylate
CID 44583674
(1-Heptyltriazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 137634754
(1-Heptyltriazol-4-yl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 137647819
2-(4-(dimethylcarbamoyl)-1H-1,2,3-triazol-1-yl)acetic acid
CID 66290402
1-(1-Prop-2-enoylpiperidin-4-yl)triazole-4-carboxylic acid
CID 155822937
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-(2-piperidin-2-ylethyl)-1H-1,2,3-triazole-4-carboxamide
CID 70705821
1-[2-(diethylamino)-2-oxoethyl]-N-isopropyl-N-(2-methoxyethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45597219
Tert-butyl 2,3,5-trimethyl-4-(1-methyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 126835309
(3S)-4-[1-(2-methoxyethyl)triazole-4-carbonyl]-3-propylpiperazin-2-one
CID 164639741
[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-[1-(2-hydroxyethyl)triazol-4-yl]methanone
CID 121261841
1-cyclohexyl-4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazole
CID 25460789
1-cyclopropyl-N-(1-(piperidin-2-yl)ethyl)-1H-1,2,3-triazole-4-carboxamide
CID 132210894

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid (CID 66288121) is 2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid is CC1CCCC(C)N1C(=O)c1cn(CC(=O)O)nn1.
What is the InChIKey of 2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
The InChIKey is YYZOVGSBPWRCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-8-4-3-5-9(2)16(8)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-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid?
2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethylpiperidine-1-carbonyl)triazol-1-yl]acetic acid is sourced from PubChem (CID 66288121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).