2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid

C15H17N5O3 — CID 122191477

IUPAC2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid
SMILESCC(=O)N1CCCC(n2cc(-c3cc(C(=O)O)ccn3)nn2)C1
InChIInChI=1S/C15H17N5O3/c1-10(21)19-6-2-3-12(8-19)20-9-14(17-18-20)13-7-11(15(22)23)4-5-16-13/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,22,23)
InChIKeyRKFMLROPRMKHBS-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.22
Rot. Bonds3

About 2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid

2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 122191477) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid
PubChem CID122191477
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid
SMILESCC(=O)N1CCCC(n2cc(-c3cc(C(=O)O)ccn3)nn2)C1
InChIInChI=1S/C15H17N5O3/c1-10(21)19-6-2-3-12(8-19)20-9-14(17-18-20)13-7-11(15(22)23)4-5-16-13/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,22,23)
InChIKeyRKFMLROPRMKHBS-UHFFFAOYSA-N
XLogP1.22
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-[3-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]cyclobutyl]triazol-4-yl]pyridine-4-carboxylic acid
CID 167767742
[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 91908519
[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 99757118
(3-bromophenyl)-[(3S)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 99757434
(4-tert-butylphenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908512
(3,5-dimethylphenyl)-[(3R)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 99757419
(3,4-difluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908522
(3-methylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150088
[3-(dimethylamino)phenyl]-[(3R)-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 99757411
(4-methoxyphenyl)-[3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 91908548
cyclopentyl-[(3S)-3-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]piperidin-1-yl]methanone
CID 99757164
2H-benzotriazol-5-yl-[3-[4-(hydroxymethyl)triazol-1-yl]piperidin-1-yl]methanone
CID 154837451

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid (CID 122191477) is 2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid is CC(=O)N1CCCC(n2cc(-c3cc(C(=O)O)ccn3)nn2)C1.
What is the InChIKey of 2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is RKFMLROPRMKHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-10(21)19-6-2-3-12(8-19)20-9-14(17-18-20)13-7-11(15(22)23)4-5-16-13/h4-5,7,9,12H,2-3,6,8H2,1H3,(H,22,23).
What are the key properties of 2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid?
2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-acetylpiperidin-3-yl)triazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 122191477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).